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514800-73-8 | 4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOHYDRAZIDE
CAS No: 514800-73-8 Catalog No: AG01ANI7 MDL No:MFCD02253959
Product Description
Catalog Number:
AG01ANI7
Chemical Name:
4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]BENZOHYDRAZIDE
CAS Number:
514800-73-8
Molecular Formula:
C11H11N5O3
Molecular Weight:
261.2367
MDL Number:
MFCD02253959
IUPAC Name:
4-[(4-nitropyrazol-1-yl)methyl]benzohydrazide
InChI:
InChI=1S/C11H11N5O3/c12-14-11(17)9-3-1-8(2-4-9)6-15-7-10(5-13-15)16(18)19/h1-5,7H,6,12H2,(H,14,17)
InChI Key:
OXNHMUWLDLXYPM-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(cc1)Cn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
338
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:
0.2
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