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Home > Fluorides > 1289195-79-4
1289195-79-4 | Benzonitrile, 2-formyl-3-(trifluoromethyl)-
CAS No: 1289195-79-4 Catalog No: AG000YJ0 MDL No:
Product Description
Catalog Number:
AG000YJ0
Chemical Name:
Benzonitrile, 2-formyl-3-(trifluoromethyl)-
CAS Number:
1289195-79-4
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
IUPAC Name:
2-formyl-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H4F3NO/c10-9(11,12)8-3-1-2-6(4-13)7(8)5-14/h1-3,5H
InChI Key:
ICCCCUVPHQDVTP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C=O)C(F)(F)F
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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