Monomers
2-Chlorostyrene
Identifiers
IUPAC name
1-chloro-2-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InchI Key
ISRGONDNXBCDBM-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1Cl
Canonical SMILES
C=CC1=CC=CC=C1Cl
Isomeric SMILES
C=CC1=CC=CC=C1Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7Cl
Heavy Atom Count
9
Molecular Weight
138.597
Exact Molecular Weight
138.0236
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.983
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
2.7307 0.2602 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7719 -0.4929 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3610 -0.2148 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5079 -1.3296 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8401 -1.1122 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3494 0.1675 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 1.2438 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1349 1.0384 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8757 2.4328 0.3068 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6402 1.2023 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7779 -0.0586 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0901 -1.4394 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0945 -2.3217 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5028 -1.9649 -0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4147 0.3321 -0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8893 2.2569 0.0303 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
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers