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1379686-14-2 | Benzoic acid, 2-amino-4,6-bis(trifluoromethyl)-
CAS No: 1379686-14-2 Catalog No: AG0017QT MDL No:
Product Description
Catalog Number:
AG0017QT
Chemical Name:
Benzoic acid, 2-amino-4,6-bis(trifluoromethyl)-
CAS Number:
1379686-14-2
Molecular Formula:
C9H5F6NO2
Molecular Weight:
273.1319
IUPAC Name:
2-amino-4,6-bis(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H5F6NO2/c10-8(11,12)3-1-4(9(13,14)15)6(7(17)18)5(16)2-3/h1-2H,16H2,(H,17,18)
InChI Key:
BROYIYLWBSRTNS-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)cc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.022g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.134g/mol
Monoisotopic Mass:
273.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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