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Home > Nitro Compounds > 90947-37-8
90947-37-8 | 1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile
CAS No: 90947-37-8 Catalog No: AG00H2XG MDL No:MFCD19105122
Product Description
Catalog Number:
AG00H2XG
Chemical Name:
1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile
CAS Number:
90947-37-8
Molecular Formula:
C10H6N4O2
Molecular Weight:
214.1802
MDL Number:
MFCD19105122
IUPAC Name:
1-(2-nitrophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H6N4O2/c11-5-8-6-12-13(7-8)9-3-1-2-4-10(9)14(15)16/h1-4,6-7H
InChI Key:
LDBSKTZVIXVCME-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.184g/mol
Monoisotopic Mass:
214.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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