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126695-67-8 | Benzoic acid, 2-amino-4-azido-3,5,6-trifluoro-
CAS No: 126695-67-8 Catalog No: AG000T3E MDL No:
Product Description
Catalog Number:
AG000T3E
Chemical Name:
Benzoic acid, 2-amino-4-azido-3,5,6-trifluoro-
CAS Number:
126695-67-8
Molecular Formula:
C7H3F3N4O2
Molecular Weight:
232.1195
IUPAC Name:
2-amino-4-azido-3,5,6-trifluorobenzoic acid
InChI:
InChI=1S/C7H3F3N4O2/c8-2-1(7(15)16)5(11)4(10)6(3(2)9)13-14-12/h11H2,(H,15,16)
InChI Key:
KXTRYPQVRWSWBP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(F)c(N)c(c(c1F)F)C(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.122g/mol
Monoisotopic Mass:
232.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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