AG0031IW

3086-91-7 | Benzoic acid, 2-amino-5-(aminosulfonyl)-4-chloro-

AG0031IW

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CAS Number	3086-91-7
Catalog Number	AG0031IW(AGN-PC-0JLQ36)
Chemical Name	Benzoic acid, 2-amino-5-(aminosulfonyl)-4-chloro-
EC Number	221-408-7
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
MDL Number	MFCD03423689
Molecular Formula	C7H7ClN2O4S
Molecular Weight	250.6595
SMILES	O=C(O)C1=CC(S(=O)(N)=O)=C(Cl)C=C1N
UNII	CQE8131SF0
Synonyms	4-chloro-5-sulfamoylanthranilic acid, 3086-91-7, 4-Chloro-5-sulfamoylanthranilic acid, 2-amino-4-chloro-5-sulfamoylbenzoic acid, Saluamine, UNII-CQE8131SF0, 2-AMINO-5-AMINOSULFONYL-4-CHLOROBENZOIC ACID, EINECS 221-408-7, CQE8131SF0, 2-Amino-5-(aminosulphonyl)-4-chlorobenzoic acid, Benzoic acid, 2-amino-5-(aminosulfonyl)-4-chloro-, 2-amino-5-(aminosulfonyl)-4-chlorobenzoic acid, Benzoic acid,2-amino-5-(aminosulfonyl)-4-chloro-, 2-amino-4-chloro-5-(aminosulfonyl)benzoic acid, 4-Chloro-5-sulfamoyl-anthranilic Acid, Furosemide Impurity C, Desfurylmethylfurosemide, AC1L2R3K, AC1Q6TR7, ARONIS27010, SCHEMBL3040620, CTK4G6063, DTXSID60184875, CHEBI:143338, KS-000048IE, ZINC5783849, STL481759, AKOS015995696, ACM3086917, API0000822, MCULE-7494137959, LS-35612, 2-Amino-4-chloro-5-sulphamoylbenzoic Acid, FT-0650659, J-018174, Furosemide Related Compound B, United States Pharmacopeia (USP) Reference Standard, 4-CHLORO-5- SULFAMOYLANTHRANILIC ACID (Furosemide Related Compound B), Pharmaceutical Secondary Standard; Certified Reference Material, Not Available, C7H7ClN2O4S, FUROSEMIDERELATEDCOMPOUNDB, C7-H7-Cl-N2-O4-S, CID76523, AR-1G1711, CS-T-42092, 32251-76-6,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number