AG002ADZ

205873-28-5 | 1H-Indole-2-carboxylic acid, 5-(methylsulfonyl)-, methyl ester

AG002ADZ

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CAS Number	205873-28-5
Catalog Number	AG002ADZ(AGN-PC-0JVO3K)
Chemical Name	1H-Indole-2-carboxylic acid, 5-(methylsulfonyl)-, methyl ester
IUPAC Name	methyl 5-methylsulfonyl-1H-indole-2-carboxylate
InChI	InChI=1S/C11H11NO4S/c1-16-11(13)10-6-7-5-8(17(2,14)15)3-4-9(7)12-10/h3-6,12H,1-2H3
InChI Key	NVOKZHQKGPZQFP-UHFFFAOYSA-N
MDL Number	MFCD00216478
Molecular Formula	C11H11NO4S
Molecular Weight	253.2743
SMILES	COC(=O)C1=CC2=C(N1)C=CC(=C2)S(C)(=O)=O
Synonyms	205873-28-5, Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate, methyl 5-methylsulfonyl-1H-indole-2-carboxylate, methyl 5-(methylsulfonyl)indole-2-carboxylate, methyl 5-methylsulphonylindole-2-carboxylate, AK-45615, M-4405, methyl 5-(methylsulphonyl)-1h-indole-2-carboxylate, 1H-Indole-2-carboxylicacid, 5-(methylsulfonyl)-, methyl ester, AC1LEGUB, Oprea1_836278, SCHEMBL2576116, CTK4E4610, DTXSID50352869, NVOKZHQKGPZQFP-UHFFFAOYSA-N, ZINC153778, KS-00000G9L, ZX-AT009317, 0556AB, ANW-55988, MFCD00216478, OR7112, SBB057595, AKOS015852541, MCULE-8952366829, VI30414, ACM205873285, AJ-13088, BP-12384, CC-30670, DS-13628, ZB005561, AX8013049, DB-045297, methyl 5-methylsulfonylindole-2-carboxylate, TR-009623, FT-0643922, ST50307603, methyl 5-methanesulfonyl-1H-indole-2-carboxylate, C-15664, 2-(Methoxycarbonyl)-5-(methylsulphonyl)-1H-indole, I10-1204, Methyl 5-(methanesulfonyl)-1H-indole-2-carboxylate, 5-methanesulfonylindole-2-carboxylic acid methyl ester, 5methanesulfonylindole-2-carboxylic acid methyl ester, 5-(methylsulfonyl)-indole-2-carboxylic acid methyl ester, 5-(Methylsulfonyl)indole-2-carboxylic acid methyl ester, 5-methane sulfonylindole-2-carboxylic acid methyl ester, 5-methanesulfonyl-1H-indole-2-carboxylic acid methyl ester, 1H-Indole-2-carboxylicacid,5-(methylsulfonyl)-,methyl ester, 5-(Methylsulfonyl)-1H-indole-2-carboxylic acid methyl ester, 1H-Indole-2-carboxylic acid, 5-(methylsulfonyl)-, methyl ester, C11H11NO4S, CID735868, ZINC00153778, METHYL5- -1H-INDOLE-2-CARBOXYLATE, METHYL5-(METHYLSULFONYL)-1H-INDOLE-2-CARBOXYLATE,

Complexity	400
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.041g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.272g/mol
Monoisotopic Mass	253.041g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	84.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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