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Home > Nitro Compounds > 88796-45-6
88796-45-6 | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 6-nitro-2-phenyl-
CAS No: 88796-45-6 Catalog No: AG004ATN MDL No:
Product Description
Catalog Number:
AG004ATN
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 6-nitro-2-phenyl-
CAS Number:
88796-45-6
Molecular Formula:
C13H7N5O2
Molecular Weight:
265.2270
IUPAC Name:
6-nitro-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C13H7N5O2/c14-6-11-12(9-4-2-1-3-5-9)16-17-8-10(18(19)20)7-15-13(11)17/h1-5,7-8H
InChI Key:
JMXUELQXJOPRJH-UHFFFAOYSA-N
SMILES:
N#Cc1c(nn2c1ncc(c2)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.232g/mol
Monoisotopic Mass:
265.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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