AG0034B2

6317-37-9 | 5-Nitrothiophene-2-carboxylic acid

AG0034B2

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CAS Number	6317-37-9
Catalog Number	AG0034B2(AGN-PC-0JLSQR)
Chemical Name	5-Nitrothiophene-2-carboxylic acid
EC Number	228-654-4
IUPAC Name	5-nitrothiophene-2-carboxylic acid
InChI	InChI=1S/C5H3NO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)
InChI Key	UNEPVPOHGXLUIR-UHFFFAOYSA-N
MDL Number	MFCD00159552
Molecular Formula	C5H3NO4S
Molecular Weight	173.1466
NSC Number	41707
SMILES	C1=C(SC(=C1)[N+](=O)[O-])C(O)=O
Synonyms	5-Nitrothiophene-2-carboxylic acid, 6317-37-9, 5-Nitro-2-thiophenecarboxylic acid, 5-Nitro-2-thenoic acid, 5-nitrothiophene-2-carboxylicacid, 5-Nitro-thiophene-2-carboxylic acid, 2-Thiophenecarboxylic acid, 5-nitro-, MFCD00159552, NSC41707, EINECS 228-654-4, PubChem5568, AC1L2ZQC, AC1Q5UIC, AC1Q73GM, ACMC-1B47F, 5-nitrothiophene-2-carboxylic, BIDD:GT0679, SCHEMBL218867, CTK2F4557, KS-00000CSU, 5-nitrothiophene-2carboxylic acid, DTXSID40212509, UNEPVPOHGXLUIR-UHFFFAOYSA-N, 2-CARBOXY-5-NITROTHIOPHENE, ACT02300, EBD47450, STR05414, ZINC3884944, 2-Thiophenecarboxylicacid, 5-nitro-, ANW-34568, NSC-41707, SBB053059, AKOS000114863, CS-W017558, MCULE-4163951448, PB32144, PS-4938, RP02789, TRA0030323, AC-25696, AJ-47164, AK-27084, BC201529, BR-27084, Q090, SC-05956, SY018954, AB0017392, ST2412129, TL8004391, TR-021757, 4CH-006284, 5-Nitrothiophene-2-carboxylic acid, >=98%, AM20100561, FT-0636090, N0940, ST50949608, EN300-00713, MFCD00159552 (98%), A24516, M-2751, 317N379, AI-942/25121047, I09-0416, W-104930, Z56839660, F0001-1717, 5-Nitro-2-ThiphenecarboxylicAcid;5-nitro-2-thiophenecarboxylic, C5H3NO4S, C5-H3-N-O4-S, CID80591, AR-1G9170, CN-147, ACN-034370, 5-Nitrothiophene-2-carboxylic acid, 97% - 1G 1g, 63992-42-7,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.978g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.142g/mol
Monoisotopic Mass	172.978g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number