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119385-80-7

119385-80-7 | Benzoic acid, 3-amino-2,4,5-trifluoro-

CAS No: 119385-80-7 Catalog No: AG000IO7 MDL No:MFCD00077453

Product Description

Catalog Number:
AG000IO7
Chemical Name:
Benzoic acid, 3-amino-2,4,5-trifluoro-
CAS Number:
119385-80-7
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
MDL Number:
MFCD00077453
IUPAC Name:
3-amino-2,4,5-trifluorobenzoic acid
InChI:
InChI=1S/C7H4F3NO2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,11H2,(H,12,13)
InChI Key:
NVWVZPFPZJYLNK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)N)F

Properties

Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.109g/mol
Monoisotopic Mass:
191.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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