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Home > Fluorides > 175278-06-5
175278-06-5 | Benzoic acid, 2-[3,5-bis(trifluoromethyl)benzoyl]-
CAS No: 175278-06-5 Catalog No: AG0020TP MDL No:MFCD00153140
Product Description
Catalog Number:
AG0020TP
Chemical Name:
Benzoic acid, 2-[3,5-bis(trifluoromethyl)benzoyl]-
CAS Number:
175278-06-5
Molecular Formula:
C16H8F6O3
Molecular Weight:
362.2233
MDL Number:
MFCD00153140
IUPAC Name:
2-[3,5-bis(trifluoromethyl)benzoyl]benzoic acid
InChI:
InChI=1S/C16H8F6O3/c17-15(18,19)9-5-8(6-10(7-9)16(20,21)22)13(23)11-3-1-2-4-12(11)14(24)25/h1-7H,(H,24,25)
InChI Key:
UQIQATUQTRCGCT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.038g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.227g/mol
Monoisotopic Mass:
362.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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