Monomers
2,4-Dibromostyrene
Identifiers
IUPAC name
2,4-dibromo-1-ethenylbenzene
InchI
InChI=1S/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InchI Key
NTHFKMZKTASAMH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1Br)Br
Canonical SMILES
C=CC1=C(C=C(C=C1)Br)Br
Isomeric SMILES
C=CC1=C(C=C(C=C1)Br)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Br2
Heavy Atom Count
10
Molecular Weight
261.944
Exact Molecular Weight
259.8836
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.8546
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
-2.7635 0.5706 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8951 -0.3809 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4666 -0.1663 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1456 1.0574 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 1.2331 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2685 0.1059 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 -1.1397 0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3378 -1.2535 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 -3.0319 0.3915 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1582 0.3377 0.5899 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4105 1.5821 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8000 0.3206 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2882 -1.4050 -0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4401 1.9390 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9747 2.2292 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3374 -1.9984 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
6 10 1 0
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers