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Home > Nitro Compounds > 101933-27-1
101933-27-1 | Benzene, [[(1E)-2-nitroethenyl]thio]-
CAS No: 101933-27-1 Catalog No: AG0005ZH MDL No:
Product Description
Catalog Number:
AG0005ZH
Chemical Name:
Benzene, [[(1E)-2-nitroethenyl]thio]-
CAS Number:
101933-27-1
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
IUPAC Name:
2-nitroethenylsulfanylbenzene
InChI:
InChI=1S/C8H7NO2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H
InChI Key:
NYDYRZCSWAKHFG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C/Sc1ccccc1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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