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23516-85-0 | Benzonitrile, 4-(2,2,2-trifluoroacetyl)-
CAS No: 23516-85-0 Catalog No: AG002NJU MDL No:MFCD01319971
Product Description
Catalog Number:
AG002NJU
Chemical Name:
Benzonitrile, 4-(2,2,2-trifluoroacetyl)-
CAS Number:
23516-85-0
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
MDL Number:
MFCD01319971
IUPAC Name:
4-(2,2,2-trifluoroacetyl)benzonitrile
InChI:
InChI=1S/C9H4F3NO/c10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h1-4H
InChI Key:
NBHZKHMJVZRCIY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)C(F)(F)F
Properties
Complexity:
268
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:
2.3
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