7-Bromoquinoline-2-carboxylic acid - CAS 1057217-63-6

Catalog:	BB001696
Product Name:	7-Bromoquinoline-2-carboxylic acid
CAS:	1057217-63-6
Synonyms:	7-bromoquinoline-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	7-bromoquinoline-2-carboxylic acid
Description:	7-Bromoquinoline-2-carboxylic acid (CAS# 1057217-63-6) is a useful research chemical.
Molecular Weight:	252.06
Molecular Formula:	C10H6BrNO2
Canonical SMILES:	C1=CC(=CC2=C1C=CC(=N2)C(=O)O)Br
InChI:	InChI=1S/C10H6BrNO2/c11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7/h1-5H,(H,13,14)
InChI Key:	PLRDUYBIGUGOKD-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD11108693
LogP:	2.69550

Publication Number	Title	Priority Date
KR-20210027860-A	pyrimidinecarboxamide derivatives and pharmaceutical compositions thereof	20190903
WO-2020205467-A1	Stat3 protein degraders	20190329
EP-3421464-A1	Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof	20170630
EP-3421465-A1	Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof	20170630
EP-3647311-A1	Rho-associated protein kinase inhibitor, pharmaceutical composition comprising same, and preparation method and use thereof	20170630

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.95819
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	250.95819
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7