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
2.7235 0.0213 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7381 0.6683 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3548 0.2678 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6460 1.2702 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9740 0.9461 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 -0.3843 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3503 -1.3629 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 -1.0483 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1114 -2.3844 -0.0816 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 0.4003 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6684 -0.8951 0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9743 1.6125 -0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3001 2.2964 -0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7445 1.6944 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3686 -0.6930 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6263 -2.4090 -0.0487 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