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
-2.7926 0.4709 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 -0.3370 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3988 -0.1875 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4226 -1.3262 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7758 -1.2427 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3636 -0.0210 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6039 1.1256 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2277 1.0110 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6429 2.5208 -0.0987 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7651 1.4489 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8247 0.1571 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -1.3103 0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0062 -2.3192 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4217 -2.1200 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4398 0.0512 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0679 2.0785 -0.4676 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