Home Nitriles 1H-Pyrazole-3-carbonitrile,4-phenyl-

1H-Pyrazole-3-carbonitrile,4-phenyl-

CAS No.:
21673-04-1
Catalog Number:
AG007PGS
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
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Product Description
Catalog Number:
AG007PGS
Chemical Name:
1H-Pyrazole-3-carbonitrile,4-phenyl-
CAS Number:
21673-04-1
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD11858445
IUPAC Name:
4-phenyl-1H-pyrazole-5-carbonitrile
InChI:
InChI=1S/C10H7N3/c11-6-10-9(7-12-13-10)8-4-2-1-3-5-8/h1-5,7H,(H,12,13)
InChI Key:
UKUOCGFYSINYSA-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]cc1c1ccccc1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties