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Home > Fluorides > 1269293-01-7
1269293-01-7 | 1H-Pyrazole-4-carbonitrile, 5-fluoro-1-(4-methylphenyl)-
CAS No: 1269293-01-7 Catalog No: AG000TK2 MDL No:MFCD17215141
Product Description
Catalog Number:
AG000TK2
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-fluoro-1-(4-methylphenyl)-
CAS Number:
1269293-01-7
Molecular Formula:
C11H8FN3
Molecular Weight:
201.1997
MDL Number:
MFCD17215141
IUPAC Name:
5-fluoro-1-(4-methylphenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C11H8FN3/c1-8-2-4-10(5-3-8)15-11(12)9(6-13)7-14-15/h2-5,7H,1H3
InChI Key:
RFCYPBNEZMIXAK-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1F)c1ccc(cc1)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.204g/mol
Monoisotopic Mass:
201.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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