Monomers
3-Chlorostyrene
Identifiers
IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=C1)Cl
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
-2.6788 0.6507 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8296 -0.2680 0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4189 -0.2144 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4371 -1.2527 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7580 -1.1878 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2559 -0.1379 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4384 0.8835 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0965 0.8213 -0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0587 2.2220 -1.8102 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4145 1.5120 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7402 0.6048 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2154 -1.1143 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0311 -2.0717 1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4319 -1.9850 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3219 -0.1161 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5320 1.6537 -0.8418 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
7 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
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers