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7-Bromo-4-oxo-4H-chromene-2-carboxylic Acid

7-Bromo-4-oxo-4H-chromene-2-carboxylic Acid - CAS 113850-96-7

Catalog:	BB003275
Product Name:	7-Bromo-4-oxo-4H-chromene-2-carboxylic Acid
CAS:	113850-96-7
Synonyms:	7-bromo-4-oxo-1-benzopyran-2-carboxylic acid; 7-bromo-4-oxochromene-2-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	7-bromo-4-oxochromene-2-carboxylic acid
Description:	7-Bromo-4-oxo-4H-chromene-2-carboxylic Acid (CAS# 113850-96-7) is a useful research chemical.
Molecular Weight:	269.05
Molecular Formula:	C10H5BrO4
Canonical SMILES:	C1=CC2=C(C=C1Br)OC(=CC2=O)C(=O)O
InChI:	InChI=1S/C10H5BrO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4H,(H,13,14)
InChI Key:	VACMFRPTBQYGGH-UHFFFAOYSA-N
Boiling Point:	397.767 °C at 760 mmHg
Density:	1.875 g/cm³
MDL:	MFCD08690667
LogP:	2.25370

Publication Number	Title	Priority Date
KR-20200055868-A	4-oxo-4H-chromene-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-â…¡ receptor activity related diseases containing the same as an active ingredient	20181113
KR-102166428-B1	4-oxo-4H-chromene-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-â…¡ receptor activity related diseases containing the same as an active ingredient	20181113
EP-3325462-A1	Lysyl oxidase-like 2 inhibitors and uses thereof	20150723
JP-2018521044-A	Lysyl oxidase like 2 inhibitor and its use	20150723
US-2018215727-A1	Lysyl oxidase-like 2 inhibitors and uses thereof	20150723

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.93712
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	267.93712
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3