AG003585

5832-01-9 | Methyl 5-nitrothiophene-2-carboxylate

AG003585

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CAS Number	5832-01-9
Catalog Number	AG003585(AGN-PC-0JLSBV)
Chemical Name	Methyl 5-nitrothiophene-2-carboxylate
EC Number	227-412-5
IUPAC Name	methyl 5-nitrothiophene-2-carboxylate
InChI	InChI=1S/C6H5NO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3
InChI Key	ROZWUNOYMSUTKS-UHFFFAOYSA-N
MDL Number	MFCD02702303
Molecular Formula	C6H5NO4S
Molecular Weight	187.1732
SMILES	[N+](=O)([O-])C1=CC=C(S1)C(=O)OC
Synonyms	Methyl 5-nitrothiophene-2-carboxylate, 5832-01-9, 5-Nitrothiophene-2-carboxylic acid methyl ester, Methyl 5-nitro-2-thiophenecarboxylate, Methyl 5-nitro-2-thenoate, ROZWUNOYMSUTKS-UHFFFAOYSA-N, 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester, 5-NITRO-2-THIOPHENECARBOXYLIC ACID METHYL ESTER, PubChem15669, AC1L2YEF, AC1Q5ZFF, AC1Q43HZ, SCHEMBL1483376, CTK5I3498, KS-00000BQZ, ZINC76213, DTXSID10207048, EINECS 227-412-5, ANW-50791, CCG-45866, Methyl 5-nitrothaphene-2-carboxylate, methyl 5-nitrothiophen-2-carboxylate, Methyl5-Nitro-2-thiophenecarboxylate, MFCD02702303, 5-Nitro-2-(methoxycarbonyl)thiophene, AKOS000278519, AB12666, MCULE-6552055721, QC-6768, TRA0061054, Methyl 5-nitro-2-thiophenecarboxylate #, AJ-10378, AK-47647, BR-47647, CJ-00593, DS-14427, SY022727, DB-072462, ST2413460, TR-020273, 4CH-006698, CS-0037854, FT-0707205, W7145, EN300-37212, S-1790, 5-Nitro-thiophene-2-carboxylic acid methyl ester, MFCD02702303 (97+%), 702M303, SR-01000635609-1, I14-31794, Thiophene-2-carboxylic acid, 5-nitro-, methyl ester, Z19502036, C6H5NO4S, 5-Nitro-2-thiophenecarboxylic acid, CID79908, AR-1J5580, ZINC00076213, 5-NITROTHIOPHENE-2-CARBOXYLICMETHYLESTER, 6114-01-8,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.994g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.169g/mol
Monoisotopic Mass	186.994g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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