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242475-26-9 | 3-(Trifluoromethyl)-DL-phenylglycine
CAS No: 242475-26-9 Catalog No: AG0033HB MDL No:MFCD02662404
Product Description
Catalog Number:
AG0033HB
Chemical Name:
3-(Trifluoromethyl)-DL-phenylglycine
CAS Number:
242475-26-9
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD02662404
IUPAC Name:
2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
InChI Key:
SRHNOGZIXICHOU-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)C(F)(F)F)N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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