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1260816-65-6 | Benzeneacetic acid, 4-amino-3-fluoro-5-(trifluoromethyl)-
CAS No: 1260816-65-6 Catalog No: AG000RDA MDL No:
Product Description
Catalog Number:
AG000RDA
Chemical Name:
Benzeneacetic acid, 4-amino-3-fluoro-5-(trifluoromethyl)-
CAS Number:
1260816-65-6
Molecular Formula:
C9H7F4NO2
Molecular Weight:
237.1510
IUPAC Name:
2-[4-amino-3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H7F4NO2/c10-6-2-4(3-7(15)16)1-5(8(6)14)9(11,12)13/h1-2H,3,14H2,(H,15,16)
InChI Key:
AQWNPNTWBIPKGA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(F)c(c(c1)C(F)(F)F)N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.154g/mol
Monoisotopic Mass:
237.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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