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1259984-59-2 | Benzeneacetic acid, α-amino-3-chloro-5-(trifluoromethyl)-
CAS No: 1259984-59-2 Catalog No: AG000QNT MDL No:
Product Description
Catalog Number:
AG000QNT
Chemical Name:
Benzeneacetic acid, α-amino-3-chloro-5-(trifluoromethyl)-
CAS Number:
1259984-59-2
Molecular Formula:
C9H7ClF3NO2
Molecular Weight:
253.6056
IUPAC Name:
2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H7ClF3NO2/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13/h1-3,7H,14H2,(H,15,16)
InChI Key:
ZGXMPVZRXMKVHA-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cc(Cl)cc(c1)C(F)(F)F)N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.605g/mol
Monoisotopic Mass:
253.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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