AG00686Q

928839-62-7 | 5-Bromoquinoline-8-carboxylic acid

AG00686Q

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CAS Number	928839-62-7
Catalog Number	AG00686Q(AGN-PC-0CU0LF)
Chemical Name	5-Bromoquinoline-8-carboxylic acid
IUPAC Name	5-bromoquinoline-8-carboxylic acid
InChI	InChI=1S/C10H6BrNO2/c11-8-4-3-7(10(13)14)9-6(8)2-1-5-12-9/h1-5H,(H,13,14)
InChI Key	SMDUUZMMJKRMDS-UHFFFAOYSA-N
MDL Number	MFCD19689072
Molecular Formula	C10H6BrNO2
Molecular Weight	252.0641
SMILES	OC(=O)C1=CC=C(Br)C2=C1N=CC=C2
Synonyms	5-Bromoquinoline-8-carboxylic acid, 928839-62-7, SCHEMBL1126280, CTK8B5684, KS-00000OIF, DTXSID10731459, SMDUUZMMJKRMDS-UHFFFAOYSA-N, 5-bromo-quinoline-8-carboxylic acid, ANW-49599, MFCD19689072, ZINC72187469, 8-Quinolinecarboxylic acid, 5-bromo-, AKOS016001750, MP-1661, AK-39924, BC005088, DS-13129, SC-25103, AB0027705, AJ-119086, TC-138344, 4CH-010203, ST24029432, W9570, 2,2-(2-(mesitylamino)-2-oxoethylazanediyl)diacetic acid, Z1741980400, 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	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number