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Home > Nitro Compounds > 514800-74-9
514800-74-9 | 1-BENZYL-3-NITRO-1H-PYRAZOLE-5-CARBOHYDRAZIDE
CAS No: 514800-74-9 Catalog No: AG01DWGO MDL No:MFCD02055615
Product Description
Catalog Number:
AG01DWGO
Chemical Name:
1-BENZYL-3-NITRO-1H-PYRAZOLE-5-CARBOHYDRAZIDE
CAS Number:
514800-74-9
MDL Number:
MFCD02055615
IUPAC Name:
2-benzyl-5-nitropyrazole-3-carbohydrazide
InChI:
InChI=1S/C11H11N5O3/c12-13-11(17)9-6-10(16(18)19)14-15(9)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,17)
InChI Key:
LQLWMLWITWSVSS-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nn1Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.241g/mol
Monoisotopic Mass:
261.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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