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120208-28-8 | 3-(2-nitroethenyl)pyridine hydrochloride
CAS No: 120208-28-8 Catalog No: AG01AJE4 MDL No:
Product Description
Catalog Number:
AG01AJE4
Chemical Name:
3-(2-nitroethenyl)pyridine hydrochloride
CAS Number:
120208-28-8
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
IUPAC Name:
3-[(E)-2-nitroethenyl]pyridine;hydrochloride
InChI:
InChI=1S/C7H6N2O2.ClH/c10-9(11)5-3-7-2-1-4-8-6-7;/h1-6H;1H/b5-3+;
InChI Key:
GQOQVRHFUYOWJT-WGCWOXMQSA-N
SMILES:
[O-][N+](=O)C=Cc1cccnc1.Cl
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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