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19731-00-1 | Benzoic acid, 2-cyano-, hydrazide
CAS No: 19731-00-1 Catalog No: AG002ARD MDL No:MFCD18071017
Product Description
Catalog Number:
AG002ARD
Chemical Name:
Benzoic acid, 2-cyano-, hydrazide
CAS Number:
19731-00-1
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD18071017
IUPAC Name:
2-cyanobenzohydrazide
InChI:
InChI=1S/C8H7N3O/c9-5-6-3-1-2-4-7(6)8(12)11-10/h1-4H,10H2,(H,11,12)
InChI Key:
TWJNQYPJQDRXPH-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccccc1C#N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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