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1259323-62-0 | Benzoic acid, 2-amino-4-(trifluoromethoxy)-
CAS No: 1259323-62-0 Catalog No: AG000OYX MDL No:
Product Description
Catalog Number:
AG000OYX
Chemical Name:
Benzoic acid, 2-amino-4-(trifluoromethoxy)-
CAS Number:
1259323-62-0
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
IUPAC Name:
2-amino-4-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)15-4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)
InChI Key:
FUGYWJHVDZKDIC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1N)OC(F)(F)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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