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Home > Fluorides > 101066-58-4
101066-58-4 | Benzonitrile, 4-formyl-2-(trifluoromethyl)-
CAS No: 101066-58-4 Catalog No: AG0003NL MDL No:MFCD18250086
Product Description
Catalog Number:
AG0003NL
Chemical Name:
Benzonitrile, 4-formyl-2-(trifluoromethyl)-
CAS Number:
101066-58-4
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
MDL Number:
MFCD18250086
IUPAC Name:
4-formyl-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H4F3NO/c10-9(11,12)8-3-6(5-14)1-2-7(8)4-13/h1-3,5H
InChI Key:
DNBOMVSHDQDYJG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(F)(F)F)C#N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.132g/mol
Monoisotopic Mass:
199.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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