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203302-97-0 | Benzeneacetic acid, 3-(trifluoromethoxy)-
CAS No: 203302-97-0 Catalog No: AG0028TE MDL No:MFCD00082480
Product Description
Catalog Number:
AG0028TE
Chemical Name:
Benzeneacetic acid, 3-(trifluoromethoxy)-
CAS Number:
203302-97-0
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD00082480
IUPAC Name:
2-[3-(trifluoromethoxy)phenyl]acetic acid
InChI:
InChI=1S/C9H7F3O3/c10-9(11,12)15-7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
NFZQVADYFXRRPM-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)OC(F)(F)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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