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Home > Fluorides > 162101-28-2
162101-28-2 | [1,1'-Biphenyl]-4-carbonitrile, 2',3-difluoro-4'-propoxy-
CAS No: 162101-28-2 Catalog No: AG001SQP MDL No:
Product Description
Catalog Number:
AG001SQP
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 2',3-difluoro-4'-propoxy-
CAS Number:
162101-28-2
Molecular Formula:
C16H13F2NO
Molecular Weight:
273.2773
IUPAC Name:
2-fluoro-4-(2-fluoro-4-propoxyphenyl)benzonitrile
InChI:
InChI=1S/C16H13F2NO/c1-2-7-20-13-5-6-14(16(18)9-13)11-3-4-12(10-19)15(17)8-11/h3-6,8-9H,2,7H2,1H3
InChI Key:
MESBLMHDSYYKDH-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)F)c1ccc(c(c1)F)C#N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.283g/mol
Monoisotopic Mass:
273.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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