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1513-44-6 | Benzenesulfonic acid, 2-amino-4-(trifluoromethyl)-
CAS No: 1513-44-6 Catalog No: AG001N8Z MDL No:MFCD00036074
Product Description
Catalog Number:
AG001N8Z
Chemical Name:
Benzenesulfonic acid, 2-amino-4-(trifluoromethyl)-
CAS Number:
1513-44-6
Molecular Formula:
C7H6F3NO3S
Molecular Weight:
241.1876
MDL Number:
MFCD00036074
IUPAC Name:
2-amino-4-(trifluoromethyl)benzenesulfonic acid
InChI:
InChI=1S/C7H6F3NO3S/c8-7(9,10)4-1-2-6(5(11)3-4)15(12,13)14/h1-3H,11H2,(H,12,13,14)
InChI Key:
LHIOGENQCVAALC-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1S(=O)(=O)O)C(F)(F)F
EC Number:
216-151-2
NSC Number:
146126
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.184g/mol
Monoisotopic Mass:
241.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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