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Home > Fluorides > 131997-93-8
131997-93-8 | Benzonitrile, 2,6-difluoro-4-(5-pentyl-2-pyrimidinyl)-
CAS No: 131997-93-8 Catalog No: AG00100O MDL No:
Product Description
Catalog Number:
AG00100O
Chemical Name:
Benzonitrile, 2,6-difluoro-4-(5-pentyl-2-pyrimidinyl)-
CAS Number:
131997-93-8
Molecular Formula:
C16H15F2N3
Molecular Weight:
287.3072
IUPAC Name:
2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzonitrile
InChI:
InChI=1S/C16H15F2N3/c1-2-3-4-5-11-9-20-16(21-10-11)12-6-14(17)13(8-19)15(18)7-12/h6-7,9-10H,2-5H2,1H3
InChI Key:
QPZFAURDLSXTHE-UHFFFAOYSA-N
SMILES:
CCCCCc1cnc(nc1)c1cc(F)c(c(c1)F)C#N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.314g/mol
Monoisotopic Mass:
287.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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