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1381944-86-0 | [1,1'-Biphenyl]-4-carbonitrile, 3,3'-difluoro-4'-methyl-
CAS No: 1381944-86-0 Catalog No: AG00187B MDL No:MFCD22375063
Product Description
Catalog Number:
AG00187B
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3,3'-difluoro-4'-methyl-
CAS Number:
1381944-86-0
Molecular Formula:
C14H9F2N
Molecular Weight:
229.2248
MDL Number:
MFCD22375063
IUPAC Name:
2-fluoro-4-(3-fluoro-4-methylphenyl)benzonitrile
InChI:
InChI=1S/C14H9F2N/c1-9-2-3-10(6-13(9)15)11-4-5-12(8-17)14(16)7-11/h2-7H,1H3
InChI Key:
YCRBIMAMFQJRTM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1ccc(c(c1)F)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.23g/mol
Monoisotopic Mass:
229.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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