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Home > Fluorides > 467442-15-5
467442-15-5 | 3,5-Difluoro-4-formylbenzonitrile
CAS No: 467442-15-5 Catalog No: AG003IMG MDL No:MFCD08457661
Product Description
Catalog Number:
AG003IMG
Chemical Name:
3,5-Difluoro-4-formylbenzonitrile
CAS Number:
467442-15-5
Molecular Formula:
C8H3F2NO
Molecular Weight:
167.1123
MDL Number:
MFCD08457661
IUPAC Name:
3,5-difluoro-4-formylbenzonitrile
InChI:
InChI=1S/C8H3F2NO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H
InChI Key:
GOBXWYWTZCKDBF-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)cc(cc1F)C#N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.115g/mol
Monoisotopic Mass:
167.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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