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5-Bromo-3-nitro-thiophene-2-carboxylic Acid

5-Bromo-3-nitro-thiophene-2-carboxylic Acid - CAS 101079-64-5

Catalog:	BB000431
Product Name:	5-Bromo-3-nitro-thiophene-2-carboxylic Acid
CAS:	101079-64-5
Synonyms:	5-bromo-3-nitro-2-thiophenecarboxylic acid; 5-bromo-3-nitrothiophene-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3-nitrothiophene-2-carboxylic acid
Description:	5-Bromo-3-nitro-thiophene-2-carboxylic Acid (CAS# 101079-64-5) is a useful research chemical.
Molecular Weight:	252.04
Molecular Formula:	C5H2BrNO4S
Canonical SMILES:	C1=C(SC(=C1[N+](=O)[O-])C(=O)O)Br
InChI:	InChI=1S/C5H2BrNO4S/c6-3-1-2(7(10)11)4(12-3)5(8)9/h1H,(H,8,9)
InChI Key:	HJCDDONOCCNMLW-UHFFFAOYSA-N
LogP:	2.64020

Publication Number	Title	Priority Date
AU-2017221707-A1	Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor	20160216
AU-2017221707-B2	Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor	20160216
CA-3014740-A1	2,3,5-substituted thiophene compound as protein kinase inhibitor	20160216
EP-3418275-A1	Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor	20160216
KR-101965326-B1	Novel 2,3,5-substituted thiophene compounds as protein kinase inhibitors	20160216

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

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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:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.88879
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	250.88879
Rotatable Bond Count:	1
Topological Polar Surface Area:	111 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3