AG003RX2

106850-17-3 | Methyl 5-Amino-4-nitrothiophene-2-carboxylate

AG003RX2

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CAS Number	106850-17-3
Catalog Number	AG003RX2(AGN-PC-02SD5U)
Chemical Name	Methyl 5-Amino-4-nitrothiophene-2-carboxylate
IUPAC Name	methyl 5-amino-4-nitrothiophene-2-carboxylate
InChI	InChI=1S/C6H6N2O4S/c1-12-6(9)4-2-3(8(10)11)5(7)13-4/h2H,7H2,1H3
InChI Key	QNZKSILGWVCZJH-UHFFFAOYSA-N
MDL Number	MFCD11042337
Molecular Formula	C6H6N2O4S
Molecular Weight	202.1878
SMILES	O=C(C1=CC([N+]([O-])=O)=C(N)S1)OC
Synonyms	Methyl 5-amino-4-nitrothiophene-2-carboxylate, 106850-17-3, 2-Thiophenecarboxylic acid, 5-amino-4-nitro-, methyl ester, AK142026, PubChem19424, SCHEMBL1697985, KS-00000BRP, DTXSID90605548, QNZKSILGWVCZJH-UHFFFAOYSA-N, CS-B0142, 3837AH, MFCD11042337, ZINC39085126, AKOS015911462, FCH1401613, QC-5916, TRA0041362, AJ-98120, CJ-19728, CS-11528, SY023983, AB0058799, AX8078817, 4CH-002017, ST24047970, Methyl 5-amino-4-nitro-2-thiophenecarboxylate, Methyl5-Amino-4-nitrothiophene-2-carboxylate, Z-3477, MFCD11042337 (97+%), I14-36900, 2-Thiophenecarboxylic acid,5-amino-4-nitro-,methyl ester, C6H6N2O4S, 2-Thiophenecarboxylic acid, 5-amino-4-nitro-, methyl ester (9CI),

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.005g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.184g/mol
Monoisotopic Mass	202.005g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

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