AG00I6CZ

33045-53-3 | Benzoic acid, 5-(aminosulfonyl)-2-methoxy-, ethyl ester

AG00I6CZ

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CAS Number	33045-53-3
Catalog Number	AG00I6CZ(AGN-PC-0JLLT0)
Chemical Name	Benzoic acid, 5-(aminosulfonyl)-2-methoxy-, ethyl ester
EC Number	251-359-7
IUPAC Name	ethyl 2-methoxy-5-sulfamoylbenzoate
InChI	InChI=1S/C10H13NO5S/c1-3-16-10(12)8-6-7(17(11,13)14)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H2,11,13,14)
InChI Key	ZQSFLXDMGBSJKV-UHFFFAOYSA-N
MDL Number	MFCD01317556
Molecular Formula	C10H13NO5S
Molecular Weight	259.2789
SMILES	O=C(OCC)C1=CC(S(=O)(N)=O)=CC=C1OC
Synonyms	ethyl 2-methoxy-5-sulfamoylbenzoate, 33045-53-3, Ethyl 5-sulphamoyl-o-anisate, 2-methoxy-5-sulfamoylbenzoic acid ethyl ester, 5-Aminosulfonyl-2-methoxybenzoic acid ethyl ester, EINECS 251-359-7, AC1Q6UIG, AC1L3MU8, Jsp006081, SCHEMBL10723872, CTK4G9809, KS-00000JAB, Benzoic acid, 5-(aminosulfonyl)-2-methoxy-, ethyl ester, DTXSID50186702, BCP11671, ZINC2244033, ANW-44235, CE-056, Ethyl 2-Methoxy-5-sulphamoylbenzoate, MFCD09953247, ethyl 2-methoxy-5-sulfamoyl-benzoate, AKOS005216443, DS-2090, MB01797, RP06312, VZ32057, AJ-34422, AK-93039, CJ-08045, M391, AB0015187, TC-132980, 4CH-009864, FT-0612811, M-9749, 045M533, A821582, W-106793, Benzoic acid,5-(aminosulfonyl)-2-methoxy-, ethyl ester, C10H13NO5S, C10-H13-N-O5-S, AR-1I8486, CID118391, ZINC02244033, 2-(Aminomethyl)-1-N-Boc-pyrrolidine, Ethyl 2-methoxy-5-(sulfamoylmethyl)benzoate, (+/-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine, Tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate, 177911-87-4, 33990-98-6,

Complexity	361
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	1
Isotope Atom Count	0
Molecular Weight	259.276g/mol
Monoisotopic Mass	259.051g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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