AG001JRT

1445781-45-2 | 8-Quinolinecarboxylic acid, 5-bromo-, methyl ester

AG001JRT

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CAS Number	1445781-45-2
Catalog Number	AG001JRT(AGN-PC-0WAMSU)
Chemical Name	8-Quinolinecarboxylic acid, 5-bromo-, methyl ester
IUPAC Name	methyl 5-bromoquinoline-8-carboxylate
InChI	InChI=1S/C11H8BrNO2/c1-15-11(14)8-4-5-9(12)7-3-2-6-13-10(7)8/h2-6H,1H3
InChI Key	IHRLTIQTMTVDGZ-UHFFFAOYSA-N
MDL Number	MFCD19703294
Molecular Formula	C11H8BrNO2
Molecular Weight	266.0907
SMILES	O=C(C1=C2N=CC=CC2=C(Br)C=C1)OC
Synonyms	Methyl 5-bromoquinoline-8-carboxylate, 1445781-45-2, AK-47227, MFCD19703294, SCHEMBL15054071, DTXSID40856245, IHRLTIQTMTVDGZ-UHFFFAOYSA-N, KS-00000PB2, ZINC95093078, methyl-5-bromoquinoline-8-carboxylate, AKOS016014956, CS-W006719, MP-1305, CJ-22658, DS-14238, AB0058408, AJ-132176, AX8219932, 4CH-011014, ST24025422, Z4165, 5-Bromo-quinoline-8-carboxylic acid methyl ester, 8-Quinolinecarboxylic acid, 5-bromo-, methyl ester, C11H8BrNO2,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.974g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	266.094g/mol
Monoisotopic Mass	264.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^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	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number