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
2.7794 -0.1902 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7907 0.6631 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3932 0.2358 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0015 -1.0699 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3614 -1.3925 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3535 -0.4395 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9472 0.8772 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 1.2136 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1675 2.9004 -0.2009 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6163 -1.2518 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8190 0.1622 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0374 1.7224 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7444 -1.8561 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6090 -2.4559 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3898 -0.7457 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7366 1.6269 -0.0502 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