AG001PEI

15733-87-6 | 4-Quinolinecarboxylic acid, 2-bromo-

AG001PEI

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CAS Number	15733-87-6
Catalog Number	AG001PEI(AGN-PC-00PNA5)
Chemical Name	4-Quinolinecarboxylic acid, 2-bromo-
IUPAC Name	2-bromoquinoline-4-carboxylic acid
InChI	InChI=1S/C10H6BrNO2/c11-9-5-7(10(13)14)6-3-1-2-4-8(6)12-9/h1-5H,(H,13,14)
InChI Key	LUHABDKNXNXNTO-UHFFFAOYSA-N
MDL Number	MFCD08705669
Molecular Formula	C10H6BrNO2
Molecular Weight	252.0641
SMILES	BrC2=NC1=CC=CC=C1C(=C2)C(=O)O
Synonyms	2-BROMOQUINOLINE-4-CARBOXYLIC ACID, 15733-87-6, 2-bromo-4-quinolinecarboxylic acid, 4-Quinolinecarboxylic acid, 2-bromo-, AK-32202, SCHEMBL1900912, CTK0E7310, DTXSID10574000, LUHABDKNXNXNTO-UHFFFAOYSA-N, KS-000024LG, ANW-51784, MFCD08705669, ZINC14982314, AKOS015835764, DS-0782, FCH1389754, QC-8353, RP28974, AJ-65633, BR-32202, SC-51110, AB0022535, AX8072315, DB-081613, ST2409758, TR-006614, 4CH-015073, FT-0762699, W3418, S-5202, J-508547, C10H6BrNO2,

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	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number