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Home > Fluorides > 116412-99-8
116412-99-8 | Methanone, (3,4-dimethoxyphenyl)[4-(trifluoromethyl)phenyl]-
CAS No: 116412-99-8 Catalog No: AG000CG3 MDL No:MFCD16619235
Product Description
Catalog Number:
AG000CG3
Chemical Name:
Methanone, (3,4-dimethoxyphenyl)[4-(trifluoromethyl)phenyl]-
CAS Number:
116412-99-8
Molecular Formula:
C16H13F3O3
Molecular Weight:
310.2678
MDL Number:
MFCD16619235
IUPAC Name:
(3,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C16H13F3O3/c1-21-13-8-5-11(9-14(13)22-2)15(20)10-3-6-12(7-4-10)16(17,18)19/h3-9H,1-2H3
InChI Key:
IUAAHGUGVCQZAT-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.272g/mol
Monoisotopic Mass:
310.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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