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
2.6401 0.8586 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9013 -0.1970 0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4752 -0.1976 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -1.3419 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6387 -1.3657 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3136 -0.2887 -0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5544 0.8326 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1967 0.8801 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3867 2.2187 -1.2964 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 1.7902 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7260 0.8641 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3407 -1.0897 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2355 -2.1878 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2090 -2.2613 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3785 -0.3100 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3539 1.7954 -0.5846 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