AG002RU2

26137-08-6 | 2-Thiophenecarboxylic acid, 3-bromo-, methyl ester

AG002RU2

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CAS Number	26137-08-6
Catalog Number	AG002RU2(AGN-PC-0KKAD3)
Chemical Name	2-Thiophenecarboxylic acid, 3-bromo-, methyl ester
IUPAC Name	methyl 3-bromothiophene-2-carboxylate
InChI	InChI=1S/C6H5BrO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChI Key	PEGSJNCGPSIJOX-UHFFFAOYSA-N
MDL Number	MFCD00173839
Molecular Formula	C6H5BrO2S
Molecular Weight	221.0717
SMILES	C(=O)(OC)c1c(Br)ccs1
Synonyms	methyl 3-bromothiophene-2-carboxylate, 26137-08-6, 3-Bromothiophene-2-carboxylic acid methyl ester, 3-Bromo-thiophene-2-carboxylic acid methyl ester, 2-THIOPHENECARBOXYLIC ACID, 3-BROMO-, METHYL ESTER, MFCD00173839, 3-bromo-2-thiophenecarboxylic acid methyl ester, AC1MCBDR, Maybridge3_006386, KSC494Q2P, SCHEMBL318317, CTK3J4827, DTXSID60372351, PEGSJNCGPSIJOX-UHFFFAOYSA-N, 2-methoxycarbonyl-3-bromothiophene, HMS1449C06, ZINC108545, Methyl-3-bromothiophene carboxylate, ACN-S004265, ACT02289, KS-000003CH, ANW-49708, SBB053874, methyl 3-bromo-2-thiophenecarboxylate, AKOS005260321, CCG-248284, CM-1476, CS-W002470, FS-2684, MCULE-5847133741, PB25989, RP27301, RTC-060280, TRA0001145, VT20406, WT82293, IDI1_017773, methyl 3-bromanylthiophene-2-carboxylate, AC-24319, AJ-11296, AK-24670, BR-24670, CJ-00787, SC-50626, SY011458, ZB003658, AB0023810, AB1008638, ST2413346, TC-060280, AM20090321, FT-0083072, FT-0628543, M2590, ST50949728, W4949, C-6254, 3-bromo-2-thiophenecarboxylic acid, methyl ester, MFCD00173839 (97+%), 137M086, A818207, AN-584/43414011, J-512148, null, C6H5BrO2S, Methyl3-bromothiophene-2-carboxylate, ZINC00108545, ACN-025836, CID2740074, Methyl 3-bromothiophene-2-carboxylate, 97% - 1G 1g, 941714-57-4,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.919g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.068g/mol
Monoisotopic Mass	219.919g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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