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3086-91-7 | Benzoic acid, 2-amino-5-(aminosulfonyl)-4-chloro-
CAS No: 3086-91-7 Catalog No: AG0031IW MDL No:
Product Description
Catalog Number:
AG0031IW
Chemical Name:
Benzoic acid, 2-amino-5-(aminosulfonyl)-4-chloro-
CAS Number:
3086-91-7
Molecular Formula:
C7H7ClN2O4S
Molecular Weight:
250.6595
IUPAC Name:
2-amino-4-chloro-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C7H7ClN2O4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)
InChI Key:
QQLJBZFXGDHSRU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1N)Cl)S(=O)(=O)N
EC Number:
221-408-7
UNII:
CQE8131SF0
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.653g/mol
Monoisotopic Mass:
249.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Effect of cryogrinding on chemical stability of the sparingly water-soluble drug furosemide. | Pharmaceutical research 20111201 |
| Determination of furosemide in urine samples by direct injection in a micellar liquid chromatographic system. | The Analyst 20020101 |
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