AG0029VG

205114-14-3 | 6-Quinolinecarboxylic acid, 3-bromo-

AG0029VG

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CAS Number	205114-14-3
Catalog Number	AG0029VG(AGN-PC-01MJ5E)
Chemical Name	6-Quinolinecarboxylic acid, 3-bromo-
IUPAC Name	3-bromoquinoline-6-carboxylic acid
InChI	InChI=1S/C10H6BrNO2/c11-8-4-7-3-6(10(13)14)1-2-9(7)12-5-8/h1-5H,(H,13,14)
InChI Key	DKBPYVBSEJLPIR-UHFFFAOYSA-N
MDL Number	MFCD18086942
Molecular Formula	C10H6BrNO2
Molecular Weight	252.0641
SMILES	C(=O)(O)c1cc2c(cc1)ncc(c2)Br
Synonyms	3-bromoquinoline-6-carboxylic acid, 205114-14-3, 6-Quinolinecarboxylic acid, 3-bromo-, SCHEMBL2147076, DTXSID90591270, DKBPYVBSEJLPIR-UHFFFAOYSA-N, 3-Bromo-6-quinolinecarboxylic acid, MFCD18086942, ZINC95098176, AKOS024114955, ACN-048166, FCH1363407, QC-8349, AK174340, AS-32826, DA-19263, AB0091681, FT-0697061, 3-Bromo-6-quinolinecarboxylic acid, AldrichCPR, C-0134, 3-bromoquinoline-6-carboxylic acid, 95% - 1G 1g,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.958g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.067g/mol
Monoisotopic Mass	250.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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