Home Halogens Benzene, 1,3-dichloro-2-ethenyl-

Benzene, 1,3-dichloro-2-ethenyl-

CAS No.:
28469-92-3
Catalog Number:
AG002VG5
Molecular Formula:
C8H6Cl2
Molecular Weight:
173.0392
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$139
- +
5g
1 week
United States
$313
- +
10g
1 week
United States
$545
- +
Product Description
Catalog Number:
AG002VG5
Chemical Name:
Benzene, 1,3-dichloro-2-ethenyl-
CAS Number:
28469-92-3
Molecular Formula:
C8H6Cl2
Molecular Weight:
173.0392
MDL Number:
MFCD00000579
IUPAC Name:
1,3-dichloro-2-ethenylbenzene
InChI:
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InChI Key:
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES:
C=Cc1c(Cl)cccc1Cl
EC Number:
249-039-7
NSC Number:
89716
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.985g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.036g/mol
Monoisotopic Mass:
171.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Molecular structure, vinyl rotation barrier, and vibrational dynamics of 2,6-dichlorostyrene. A theoretical and experimental research. The journal of physical chemistry. A 20070719
Properties