AG00151I

121490-67-3 | 4-Quinolinecarboxylic acid, 8-bromo-

AG00151I

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CAS Number	121490-67-3
Catalog Number	AG00151I(AGN-PC-01VPAX)
Chemical Name	4-Quinolinecarboxylic acid, 8-bromo-
IUPAC Name	8-bromoquinoline-4-carboxylic acid
InChI	InChI=1S/C10H6BrNO2/c11-8-3-1-2-6-7(10(13)14)4-5-12-9(6)8/h1-5H,(H,13,14)
InChI Key	HLEBPQHZLBSIJC-UHFFFAOYSA-N
MDL Number	MFCD08690745
Molecular Formula	C10H6BrNO2
Molecular Weight	252.0641
SMILES	BrC=1C=CC=C2C(=CC=NC12)C(=O)O
Synonyms	8-bromoquinoline-4-carboxylic acid, 121490-67-3, 8-bromo-4-Quinolinecarboxylic acid, 4-Quinolinecarboxylicacid, 8-bromo-, 8-bromoquinoline-4-carboxylicacid, PubChem14353, ACMC-20a42r, SCHEMBL4519716, CHEMBL3446210, CTK0G9420, DTXSID70593555, HLEBPQHZLBSIJC-UHFFFAOYSA-N, ANW-56209, MFCD08690745, ZINC26439137, 4-Quinolinecarboxylic acid, 8-bromo-, AKOS015856053, MCULE-8661699437, RP28976, SB18186, AJ-82303, AS-42677, BC003847, AB0084166, AX8162130, DB-061921, TC-064304, CS-0006547, FT-0682307, KS-00000686, I08-0298, J-519409, A2558,

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	2.4

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