AG002NX4

23616-15-1 | 1,2,3-Benzothiadiazole-5-carboxylic acid, methyl ester

AG002NX4

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CAS Number	23616-15-1
Catalog Number	AG002NX4(AGN-PC-0KK832)
Chemical Name	1,2,3-Benzothiadiazole-5-carboxylic acid, methyl ester
IUPAC Name	methyl 1,2,3-benzothiadiazole-5-carboxylate
InChI	InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-3-7-6(4-5)9-10-13-7/h2-4H,1H3
InChI Key	JCRFJMHWEAYQAA-UHFFFAOYSA-N
MDL Number	MFCD01566550
Molecular Formula	C8H6N2O2S
Molecular Weight	194.2104
SMILES	O=C(C1=CC=C(SN=N2)C2=C1)OC
Synonyms	23616-15-1, methyl 1,2,3-benzothiadiazole-5-carboxylate, methyl benzo[d][1,2,3]thiadiazole-5-carboxylate, methyl1,2,3-benzothiadiazole-5-carboxylate, AK126094, W-206839, 5-(Carbomethoxy)-1,2,3-benzothiadiazole, AC1MC6CK, Maybridge1_005151, SCHEMBL4277300, CTK4F1924, HMS556C03, KS-00000BXP, DTXSID60371622, JCRFJMHWEAYQAA-UHFFFAOYSA-N, ZINC161648, ZX-AT000225, CCG-42772, FCH918134, MFCD01566550, OR0605, SBB091738, AKOS006228203, MCULE-1267427100, PS-3176, RP03959, SDCCGMLS-0066150.P001, ACM23616151, AJ-15784, SC-45708, SY040443, ZB007642, AX8137879, DB-015426, 5-(Methoxycarbonyl)-1,2,3-benzothiadiazole, A4928, FT-0628353, Y8382, methyl benzo[1,2,3]thiadiazole-5-carboxylate, MFCD01566550 (95%), methylbenzo[d][1,2,3]thiadiazole-5-carboxylate, A816802, 4-methylbenzo[d][1,2,3]thiadiazole-5-carboxylate, SR-01000632745-1, 1,2,3-benzothiadiazole-5-carboxylic acid methyl ester, 1,2,3-Benzothiadiazole-5-carboxylicacid, methyl ester, I14-58733, 1,2,3-Benzothiadiazole-5-carboxylic acid, methyl ester, methyl benzo[3,4-d]1,2,3-thiadiazoline-5-carboxylate, C8H6N2O2S, ZINC00161648, CID2736813,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.208g/mol
Monoisotopic Mass	194.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.3A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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