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Home > Fluorides > 890099-38-4
890099-38-4 | 4-ACETOXY-4'-TRIFLUOROMETHYLBENZOPHENONE
CAS No: 890099-38-4 Catalog No: AG00444E MDL No:MFCD07698943
Product Description
Catalog Number:
AG00444E
Chemical Name:
4-ACETOXY-4'-TRIFLUOROMETHYLBENZOPHENONE
CAS Number:
890099-38-4
Molecular Formula:
C16H11F3O3
Molecular Weight:
308.2519
MDL Number:
MFCD07698943
IUPAC Name:
[4-[4-(trifluoromethyl)benzoyl]phenyl] acetate
InChI:
InChI=1S/C16H11F3O3/c1-10(20)22-14-8-4-12(5-9-14)15(21)11-2-6-13(7-3-11)16(17,18)19/h2-9H,1H3
InChI Key:
WKVDAWDCDYQGOR-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.256g/mol
Monoisotopic Mass:
308.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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