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83265-56-9 | 2-Amino-5-(trifluoromethoxy)benzoic acid
CAS No: 83265-56-9 Catalog No: AG003B63 MDL No:MFCD00176651
Product Description
Catalog Number:
AG003B63
Chemical Name:
2-Amino-5-(trifluoromethoxy)benzoic acid
CAS Number:
83265-56-9
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD00176651
IUPAC Name:
2-amino-5-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)15-4-1-2-6(12)5(3-4)7(13)14/h1-3H,12H2,(H,13,14)
InChI Key:
UXNGDCBPIGOZFO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N)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:
2.1
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