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Home > Fluorides > 1015862-36-8
1015862-36-8 | 1H-Pyrazole-4-carbonitrile, 1-(4-fluorophenyl)-
CAS No: 1015862-36-8 Catalog No: AG0004X2 MDL No:MFCD17677453
Product Description
Catalog Number:
AG0004X2
Chemical Name:
1H-Pyrazole-4-carbonitrile, 1-(4-fluorophenyl)-
CAS Number:
1015862-36-8
Molecular Formula:
C10H6FN3
Molecular Weight:
187.1731
MDL Number:
MFCD17677453
IUPAC Name:
1-(4-fluorophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H6FN3/c11-9-1-3-10(4-2-9)14-7-8(5-12)6-13-14/h1-4,6-7H
InChI Key:
MEDIBGHAXJMOCQ-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1)c1ccc(cc1)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.177g/mol
Monoisotopic Mass:
187.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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