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3038-48-0 | Benzeneacetic acid, 2-(trifluoromethyl)-
CAS No: 3038-48-0 Catalog No: AG002ZY9 MDL No:MFCD00004327
Product Description
Catalog Number:
AG002ZY9
Chemical Name:
Benzeneacetic acid, 2-(trifluoromethyl)-
CAS Number:
3038-48-0
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD00004327
IUPAC Name:
2-[2-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
TYOCDHCKTWANIR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1C(F)(F)F
EC Number:
221-240-4
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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