AG00IC6Q

71675-87-1 | Benzoic acid, 4-amino-5-(ethylsulfonyl)-2-methoxy-

AG00IC6Q

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CAS Number	71675-87-1
Catalog Number	AG00IC6Q(AGN-PC-0CU1D3)
Chemical Name	Benzoic acid, 4-amino-5-(ethylsulfonyl)-2-methoxy-
IUPAC Name	4-amino-5-ethylsulfonyl-2-methoxybenzoic acid
InChI	InChI=1S/C10H13NO5S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
InChI Key	OJVNCXHGGYYOPH-UHFFFAOYSA-N
MDL Number	MFCD04973619
Molecular Formula	C10H13NO5S
Molecular Weight	259.2789
SMILES	O=C(O)C1=CC(S(=O)(CC)=O)=C(N)C=C1OC
Synonyms	71675-87-1, 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid, 4-amino-5-ethylsulfonyl-2-methoxybenzoic acid, 2-methoxy-4-amino-5-ethylsulfonylbenzoic acid, 4-Amino-5-(ethylsulphonyl)-o-anisic acid, 4-amino-5-(ethanesulfonyl)-2-methoxybenzoic acid, Benzoic acid, 4-amino-5-(ethylsulfonyl)-2-methoxy-, AK-36200, A1-01727, W-104510, 2-Methoxy-4-amino-5-ethylsulfonyl benzoic acid, EINECS 275-833-8, PubChem18225, EC 275-833-8, AC1MI66V, SCHEMBL3313702, CTK5D4842, OJVNCXHGGYYOPH-UHFFFAOYSA-N, ACT00963, ALBB-006392, BCP22957, CS-M1894, KS-00000NE8, ZINC2540786, ZX-AN006139, ANW-47425, CA-277, CA0094, MFCD04973619, RW1210, STK503889, AKOS005171595, AC-6121, GS-3369, LS11429, MCULE-9962553521, RL04736, AJ-39134, AN-10343, BR-36200, CC-17831, P095, SC-12706, SY042620, AB0016822, AB1009635, AX8008246, DB-006646, ST2405536, TR-023542, 4CH-017807, FT-0081404, FT-0641361, TL80090700, MFCD04973619 (97%), 2-methoxy-4-amino-5-ethylsulphonylbenzoic acid, 2-methoxy-4-amino-5-ethysulfonyl benzoic acid, 4-amino-5-ethylsulfonyl-2-methoxy-benzoic acid, S-5647, 2-methoxy-4-amino-5-ethylsulphonyl benzoic acid, 4-azanyl-5-ethylsulfonyl-2-methoxy-benzoic acid, 4-amino-5-(ethyl sulfonyl)-2-methoxybenzoic acid, 4-amino-5-(ethylsulfonyl)-2-methoxy benzoic acid, 4-Amino-5-(ethylsulphonyl)-2-methoxybenzoic Acid, 675A871, A837283, C-16158, Benzoic acid,4-amino-5-(ethylsulfonyl)-2-methoxy-, Amisulpride impurity (2-Methoxy-4-amino-5-ethylsulfonylbenzoic Acid), null, C10H13NO5S, C10-H13-N-O5-S, CID3018232, CS-O-30835, 4-Amino-5-ethylsulfonyl-2-methoxybenzoicacid, A2615, 4-Amino-5-(ethylsulfonyl)-2-methoxybenzoicacid,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.051g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	259.276g/mol
Monoisotopic Mass	259.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number