AG00DDMC

53935-71-0 | 2-CHLOROTHIOPHENE-3-CARBOXYLIC ACID

AG00DDMC

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CAS Number	53935-71-0
Catalog Number	AG00DDMC(AGN-PC-0KY6YQ)
Chemical Name	2-CHLOROTHIOPHENE-3-CARBOXYLIC ACID
IUPAC Name	2-chlorothiophene-3-carboxylic acid
InChI	InChI=1S/C5H3ClO2S/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
InChI Key	DZVPSOCOJRCNIA-UHFFFAOYSA-N
MDL Number	MFCD00098423
Molecular Formula	C5H3ClO2S
Molecular Weight	162.5941
SMILES	ClC1=C(C=CS1)C(=O)O
Synonyms	2-chlorothiophene-3-carboxylic Acid, 53935-71-0, 2-chloro-3-thiophenecarboxylic acid, 2-Chloro-thiophene-3-carboxylicacid, 3-Thiophenecarboxylic acid, 2-chloro-, AC1MU9XI, KSC268S6D, SCHEMBL1323870, CTK1G8961, KS-00000HES, DTXSID40394798, DZVPSOCOJRCNIA-UHFFFAOYSA-N, 2-Chlorothiophene-3-carboxylicacid, BCP27876, ZINC2575280, ANW-51709, MFCD00098423, 2-Chloro-thiophene-3-carboxylic acid, 3-Thiophenecarboxylicacid, 2-chloro-, AKOS006272146, CS-W005652, FS-2944, QC-5891, RP22556, RTC-063448, AJ-42371, AK-29355, BR-29355, SC-29850, SY021357, AB0025368, ST2409948, TC-063448, 4CH-007971, FT-0648296, W6821, MFCD00098423 (95%), S-5591, I09-1791, J-509183, Z1741975266, C5H3ClO2S, CID3662728, A7834, 59337-81-4,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.954g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.587g/mol
Monoisotopic Mass	161.954g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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

Lot Number