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Home > Nitro Compounds > 80030-79-1
80030-79-1 | 1H-Pyrazole-3-carboxamide, 5-methyl-4-nitro-N-(phenylmethyl)-
CAS No: 80030-79-1 Catalog No: AG00GE01 MDL No:
Product Description
Catalog Number:
AG00GE01
Chemical Name:
1H-Pyrazole-3-carboxamide, 5-methyl-4-nitro-N-(phenylmethyl)-
CAS Number:
80030-79-1
IUPAC Name:
N-benzyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
InChI:
InChI=1S/C12H12N4O3/c1-8-11(16(18)19)10(15-14-8)12(17)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,17)(H,14,15)
InChI Key:
HPYOXONPVXSOEL-UHFFFAOYSA-N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.253g/mol
Monoisotopic Mass:
260.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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