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Home > Nitro Compounds > 383892-07-7
383892-07-7 | 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
CAS No: 383892-07-7 Catalog No: AG00JK9F MDL No:MFCD01852194
Product Description
Catalog Number:
AG00JK9F
Chemical Name:
4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
CAS Number:
383892-07-7
Molecular Formula:
C12H13N5O3
Molecular Weight:
275.2633
MDL Number:
MFCD01852194
IUPAC Name:
4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzohydrazide
InChI:
InChI=1S/C12H13N5O3/c1-8-6-11(17(19)20)15-16(8)7-9-2-4-10(5-3-9)12(18)14-13/h2-6H,7,13H2,1H3,(H,14,18)
InChI Key:
YFNMSBOQXOPPMR-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.268g/mol
Monoisotopic Mass:
275.102g/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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