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101495-22-1 | Benzene, 1-chloro-2-(2-chloro-2-nitroethenyl)-
CAS No: 101495-22-1 Catalog No: AG0004M3 MDL No:
Product Description
Catalog Number:
AG0004M3
Chemical Name:
Benzene, 1-chloro-2-(2-chloro-2-nitroethenyl)-
CAS Number:
101495-22-1
Molecular Formula:
C8H5Cl2NO2
Molecular Weight:
218.0368
IUPAC Name:
1-chloro-2-(2-chloro-2-nitroethenyl)benzene
InChI:
InChI=1S/C8H5Cl2NO2/c9-7-4-2-1-3-6(7)5-8(10)11(12)13/h1-5H
InChI Key:
QFEFTJATKKKPNU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=Cc1ccccc1Cl)Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.033g/mol
Monoisotopic Mass:
216.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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