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1199-21-9 | Benzene, (1-chloro-2-nitroethenyl)-
CAS No: 1199-21-9 Catalog No: AG000PU1 MDL No:
Product Description
Catalog Number:
AG000PU1
Chemical Name:
Benzene, (1-chloro-2-nitroethenyl)-
CAS Number:
1199-21-9
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
IUPAC Name:
(1-chloro-2-nitroethenyl)benzene
InChI:
InChI=1S/C8H6ClNO2/c9-8(6-10(11)12)7-4-2-1-3-5-7/h1-6H
InChI Key:
NWBAJRDGKGSLMV-UHFFFAOYSA-N
SMILES:
ClC(=C[N+](=O)[O-])c1ccccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.591g/mol
Monoisotopic Mass:
183.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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