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Methyl 3-Amino-5-bromothiophene-2-carboxylate

Methyl 3-Amino-5-bromothiophene-2-carboxylate - CAS 107818-55-3

Catalog:	BB002134
Product Name:	Methyl 3-Amino-5-bromothiophene-2-carboxylate
CAS:	107818-55-3
Synonyms:	3-amino-5-bromo-2-thiophenecarboxylic acid methyl ester; methyl 3-amino-5-bromothiophene-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-amino-5-bromothiophene-2-carboxylate
Description:	Methyl 3-Amino-5-bromothiophene-2-carboxylate (CAS# 107818-55-3) is a useful research chemical.
Molecular Weight:	236.09
Molecular Formula:	C6H6BrNO2S
Canonical SMILES:	COC(=O)C1=C(C=C(S1)Br)N
InChI:	InChI=1S/C6H6BrNO2S/c1-10-6(9)5-3(8)2-4(7)11-5/h2H,8H2,1H3
InChI Key:	RZYLOBBUEWSONL-UHFFFAOYSA-N
MDL:	MFCD12031265
LogP:	2.46060

Publication Number	Title	Priority Date
WO-2021207550-A1	Compounds and methods for modulating splicing	20200408
KR-20200020222-A	Synthesis method of thieno[3,2-b]pyridine-5(4H)-one derivatives using gold catalyst and use thereof	20180816
WO-2020036243-A1	Method for synthesizing thieno[3,2-b]pyridine-5(4h)-one derivative compound, using gold catalyst, and use therefor	20180816
US-2021332063-A1	Method for synthesizing thieno[3,2-b]pyridine-5(4h)-one derivative compound, using gold catalyst, and use therefor	20180816
TW-202003524-A	Thienopyrimidinone compounds	20180330

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.93026
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.93026
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7