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Home > Nitro Compounds > 1245771-75-8
1245771-75-8 | 1-methyl-3-nitro-1H-pyrazole-5-carbonitrile
CAS No: 1245771-75-8 Catalog No: AG01AOKK MDL No:MFCD18374170
Product Description
Catalog Number:
AG01AOKK
Chemical Name:
1-methyl-3-nitro-1H-pyrazole-5-carbonitrile
CAS Number:
1245771-75-8
Molecular Formula:
C5H4N4O2
Molecular Weight:
152.1109
MDL Number:
MFCD18374170
IUPAC Name:
2-methyl-5-nitropyrazole-3-carbonitrile
InChI:
InChI=1S/C5H4N4O2/c1-8-4(3-6)2-5(7-8)9(10)11/h2H,1H3
InChI Key:
NROJKIMPBOEHMA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(nn1C)[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.113g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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