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1381944-54-2 | [1,1'-Biphenyl]-4-carbonitrile, 2'-chloro-3-fluoro-5'-methyl-
CAS No: 1381944-54-2 Catalog No: AG00186R MDL No:MFCD22375081
Product Description
Catalog Number:
AG00186R
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 2'-chloro-3-fluoro-5'-methyl-
CAS Number:
1381944-54-2
Molecular Formula:
C14H9ClFN
Molecular Weight:
245.6794
MDL Number:
MFCD22375081
IUPAC Name:
4-(2-chloro-5-methylphenyl)-2-fluorobenzonitrile
InChI:
InChI=1S/C14H9ClFN/c1-9-2-5-13(15)12(6-9)10-3-4-11(8-17)14(16)7-10/h2-7H,1H3
InChI Key:
SSQHGSWBIBVSGZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1cc(C)ccc1Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.681g/mol
Monoisotopic Mass:
245.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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