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Home > Fluorides > 1807077-94-6
1807077-94-6 | Benzonitrile, 4-acetyl-3-(trifluoromethyl)-
CAS No: 1807077-94-6 Catalog No: AG00228Y MDL No:
Product Description
Catalog Number:
AG00228Y
Chemical Name:
Benzonitrile, 4-acetyl-3-(trifluoromethyl)-
CAS Number:
1807077-94-6
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
IUPAC Name:
4-acetyl-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C10H6F3NO/c1-6(15)8-3-2-7(5-14)4-9(8)10(11,12)13/h2-4H,1H3
InChI Key:
DFUHGQSQJFZBNH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)C(=O)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.159g/mol
Monoisotopic Mass:
213.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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