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

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

CAS No.:
18093-85-1
Catalog Number:
AG0022HM
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
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Product Description
Catalog Number:
AG0022HM
Chemical Name:
1H-Pyrazole-3-carbonitrile, 1-phenyl-
CAS Number:
18093-85-1
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD29034892
IUPAC Name:
1-phenylpyrazole-3-carbonitrile
InChI:
InChI=1S/C10H7N3/c11-8-9-6-7-13(12-9)10-4-2-1-3-5-10/h1-7H
InChI Key:
XKXLUPDANJWFIJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccn(n1)c1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties