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88975-36-4 | Acetamide, N-[2-(cyanomethyl)phenyl]-2,2,2-trifluoro-
CAS No: 88975-36-4 Catalog No: AG0045AZ MDL No:
Product Description
Catalog Number:
AG0045AZ
Chemical Name:
Acetamide, N-[2-(cyanomethyl)phenyl]-2,2,2-trifluoro-
CAS Number:
88975-36-4
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
IUPAC Name:
N-[2-(cyanomethyl)phenyl]-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C10H7F3N2O/c11-10(12,13)9(16)15-8-4-2-1-3-7(8)5-6-14/h1-4H,5H2,(H,15,16)
InChI Key:
OQKJZKJIVALNAX-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1NC(=O)C(F)(F)F
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.174g/mol
Monoisotopic Mass:
228.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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