AG003RUR

95201-93-7 | methyl 4-bromo-3-hydroxythiophene-2-carboxylate

AG003RUR

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CAS Number	95201-93-7
Catalog Number	AG003RUR(AGN-PC-0KKYCP)
Chemical Name	methyl 4-bromo-3-hydroxythiophene-2-carboxylate
IUPAC Name	methyl 4-bromo-3-hydroxythiophene-2-carboxylate
InChI	InChI=1S/C6H5BrO3S/c1-10-6(9)5-4(8)3(7)2-11-5/h2,8H,1H3
InChI Key	UFTXASQYKJFRKI-UHFFFAOYSA-N
MDL Number	MFCD00052081
Molecular Formula	C6H5BrO3S
Molecular Weight	237.0711
SMILES	O=C(C1=C(O)C(Br)=CS1)OC
Synonyms	methyl 4-bromo-3-hydroxythiophene-2-carboxylate, 95201-93-7, MFCD00052081, 2-Thiophenecarboxylic acid, 4-bromo-3-hydroxy-, methyl ester, ACMC-20akgk, AC1NWNNP, AC1NZKAQ, AC1OADT4, Maybridge1_004012, AC1Q42R7, SCHEMBL1760863, CTK5H7549, HMS552O08, ZINC82393, DTXSID30380589, UFTXASQYKJFRKI-UHFFFAOYSA-N, BCP06815, KS-00003TO8, ZX-AT024976, 4216AF, SBB053878, AKOS005067760, CCG-240049, FCH1318775, MCULE-7908096159, VT20419, AJ-10597, AK126132, BP-10143, CC-30628, TS-03322, AX8003347, DB-057565, TR-029756, FT-0628620, ST50408602, 4-Bromo-3-hydroxy-2-(methoxycarbonyl)thiophene, Methyl 4-bromo-3-hydroxy-2-thiophenecarboxylate, Methyl-3-hydroxy-4-bromo-2-thiophenecarboxylate, Methyl-4-bromo-3-hydroxy-2-thiophenecarboxylate, C-14067, (4-bromo-3-oxo-2-thienylidene)-methoxy-methanolate, 4-bromo-2-[hydroxy(methoxy)methylidene]thiophen-3-one, I14-94415, 2-Thiophenecarboxylicacid,4-bromo-3-hydroxy-,methyl ester, 3-Hydroxy-4-bromothiophene-2-carboxylic acid methyl ester, 4-bromo-3-hydroxythiophene-2-carboxylic acid methyl ester, (2E)-4-bromo-2-[hydroxy(methoxy)methylidene]thiophen-3-one, (2Z)-4-bromo-2-[hydroxy(methoxy)methylidene]thiophen-3-one, C6H5BrO3S, ZINC00082393, CID5708851, CID5910390, CID6803139,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.914g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237.067g/mol
Monoisotopic Mass	235.914g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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