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207804-91-9 | Benzeneacetic acid, 2-carboxy-4-(trifluoromethyl)-
CAS No: 207804-91-9 Catalog No: AG002JB6 MDL No:
Product Description
Catalog Number:
AG002JB6
Chemical Name:
Benzeneacetic acid, 2-carboxy-4-(trifluoromethyl)-
CAS Number:
207804-91-9
Molecular Formula:
C10H7F3O4
Molecular Weight:
248.1554
IUPAC Name:
2-(carboxymethyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C10H7F3O4/c11-10(12,13)6-2-1-5(3-8(14)15)7(4-6)9(16)17/h1-2,4H,3H2,(H,14,15)(H,16,17)
InChI Key:
MGLYNUWGGMOQIN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1C(=O)O)C(F)(F)F
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.157g/mol
Monoisotopic Mass:
248.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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