AG0005D1

1017412-53-1 | 2-Quinolinecarboxylic acid, 5-bromo-

AG0005D1

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CAS Number	1017412-53-1
Catalog Number	AG0005D1(AGN-PC-04FWZZ)
Chemical Name	2-Quinolinecarboxylic acid, 5-bromo-
IUPAC Name	5-bromoquinoline-2-carboxylic acid
InChI	InChI=1S/C10H6BrNO2/c11-7-2-1-3-8-6(7)4-5-9(12-8)10(13)14/h1-5H,(H,13,14)
InChI Key	JEOYZEDYEKDXQG-UHFFFAOYSA-N
MDL Number	MFCD19689976
Molecular Formula	C10H6BrNO2
Molecular Weight	252.0641
SMILES	Brc1c2c(nc(cc2)C(=O)O)ccc1
Synonyms	5-Bromoquinoline-2-carboxylic acid, 1017412-53-1, AK-31170, SCHEMBL18365930, CTK8B5550, DTXSID50640612, ZX-AT013943, 5-Bromo-quinoline-2-carboxylic acid, ANW-49116, MFCD09881345, ZINC11804107, 2-Quinolinecarboxylic acid, 5-bromo-, AKOS015919956, CS-W022339, FCH1394974, OR52061, AC-29680, AJ-60187, BR-31170, DS-11745, SC-51016, AB0034421, AX8210405, TC-137861, 4CH-010200, ST24029431, X8574, S-7538, C10H6BrNO2, 5-Bromoquinoline-2-carboxylicacid,

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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number