AG0033TQ

7151-76-0 | 4-(Methylsulfonamido)benzoic Acid

AG0033TQ

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CAS Number	7151-76-0
Catalog Number	AG0033TQ(AGN-PC-0JNPRP)
Chemical Name	4-(Methylsulfonamido)benzoic Acid
IUPAC Name	4-(methanesulfonamido)benzoic acid
InChI	InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key	SROHFTOYGFCJAF-UHFFFAOYSA-N
MDL Number	MFCD00025052
Molecular Formula	C8H9NO4S
Molecular Weight	215.2264
NSC Number	70313
SMILES	O=C(O)C1=CC=C(NS(=O)(C)=O)C=C1
Synonyms	4-(Methylsulfonamido)benzoic acid, 7151-76-0, 4-[(methylsulfonyl)amino]benzoic acid, 4-methanesulfonamidobenzoic acid, 4-(METHANESULFONYLAMINO)BENZOIC ACID, 4-Methanesulfonylamino-benzoic acid, Benzoic acid, 4-[(methylsulfonyl)amino]-, 4-(methanesulfonamido)benzoic acid, CHEMBL339996, SROHFTOYGFCJAF-UHFFFAOYSA-N, p-(Methylsulfonamido)benzoic acid, 2hds, methanesulfonamidobenzoicacid, AC1Q4GQ4, AC1Q6VU0, NCIOpen2_003463, Oprea1_072870, Oprea1_337582, SCHEMBL118340, AC1L5I58, 4-(Methylsulfonamido)benzoicAcid, 4-methylsulfonylaminobenzoic acid, CTK5D4480, KS-00000CEH, 4-methanesulfonylaminobenzoic acid, DTXSID30290674, HMS3604G13, ZINC340465, 4-methanesulfonylamino benzoic acid, ALBB-029555, NSC70313, 4-(methylsulfonylamino) benzoic acid, 8608AE, BBL009646, BDBM50324680, Benzoic acid, 4-methylsulfonylamino-, KM1414, MFCD00025052, NSC-70313, STK263846, N-(4-carboxyphenyl)methanesulfonamide, 4-[(methanesufonyl)amino]benzoic acid, AKOS000264630, DB07114, MCULE-3747129793, RP12460, SS-4236, TRA0065014, Benzoic acid,4-[(methylsulfonyl)amino]-, AJ-57600, AK-78853, AN-13393, BAS 00935379, SC-27406, SY003547, AB0065407, DB-014379, TR-023519, FT-0636373, ST50243539, EN300-34639, MFCD00025052 (97+%), J-513772, BRD-K28095765-001-01-6, I14-17481, Z45636695, 4MB, D0N5WV, C8H9NO4S, AR-1F9413, CID250653, ACN-039676, 92-56-8,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.025g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.223g/mol
Monoisotopic Mass	215.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

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