Monomers

N-(4-Bromophenyl)methacrylamide

Identifiers

IUPAC name
N-(4-bromophenyl)-2-methylprop-2-enamide
InchI
InChI=1S/C10H10BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-6H,1H2,2H3,(H,12,13)
InchI Key
SLCQGECCJKYUCZ-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)Br
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Br
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10BrNO
Heavy Atom Count
13
Molecular Weight
240.1
Exact Molecular Weight
238.9946
Valence Electrons
68
Radical Electrons
0
tPSA
29.1
MolLogP
2.9637
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.0700   -0.7520   -1.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283   -0.2154   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156   -0.0588    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0820    0.4918    1.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770   -0.5804   -0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2560    0.2386    0.4634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211    0.1616    0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590   -0.2140   -1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0453   -0.2794   -1.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9363    0.0384   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4129    0.4209    0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0544    0.4821    1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8261   -0.0327   -0.5128 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3857    0.8836    1.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1427    0.5729    1.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -1.6959   -0.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699   -0.2016   -0.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5199   -0.3579   -1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218    0.6952    1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226   -0.4697   -1.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4049   -0.5862   -2.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310    0.6711    1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6696    0.7877    2.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 12  7  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  8 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers