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
2.4178 1.3239 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7227 0.4889 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 0.0486 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 -0.2632 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7661 -0.7128 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2026 -0.8830 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3276 -0.5867 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0462 -0.1310 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0290 0.1821 2.3933 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.4201 1.6381 -0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1218 1.7837 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1938 0.1402 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1695 -0.1324 -2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 -0.9492 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2131 -1.2417 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6276 -0.7055 2.3547 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