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
2.7382 0.3432 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8337 -0.5865 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4327 -0.2823 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -1.3153 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8497 -1.0906 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3078 0.1718 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4261 1.2118 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0683 0.9582 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9360 2.8291 0.7929 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5473 1.3675 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8070 0.1075 -0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1330 -1.5892 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1291 -2.2894 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5417 -1.9215 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3677 0.3121 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 1.7736 0.3583 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