AG00CLYJ

347146-14-9 | Ethyl 8-Bromoquinoline-3-Carboxylate

AG00CLYJ

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CAS Number	347146-14-9
Catalog Number	AG00CLYJ(AGN-PC-0WAZAF)
Chemical Name	Ethyl 8-Bromoquinoline-3-Carboxylate
IUPAC Name	ethyl 8-bromoquinoline-3-carboxylate
InChI	InChI=1S/C12H10BrNO2/c1-2-16-12(15)9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,2H2,1H3
InChI Key	GTEFIYMEQZHVDD-UHFFFAOYSA-N
MDL Number	MFCD19703864
Molecular Formula	C12H10BrNO2
Molecular Weight	280.1173
SMILES	O=C(C1=CC2=CC=CC(Br)=C2N=C1)OCC
Synonyms	Ethyl 8-bromoquinoline-3-carboxylate, 347146-14-9, AK-47201, 3-Carbethoxy-8-bromoquinoline, SCHEMBL2203246, DTXSID70627506, GTEFIYMEQZHVDD-UHFFFAOYSA-N, MFCD19703864, ZINC91692640, AKOS022173752, DS-3017, MP-1988, KS-000024Q9, SC-68464, AB0048641, AJ-131916, AX8280549, ST2419377, 4CH-012631, CS-0067532, Z4630, 8-Bromoquinoline-3-carboxylic acid ethyl ester, C12H10BrNO2, ethyl 8-bromoquinoline-3-carboxylate, 95% - 1G 1g, 2-(1-(tert-Butoxycarbonyl)-3-phenylpyrrolidin-3-yl)acetic acid,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.989g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	280.121g/mol
Monoisotopic Mass	278.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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

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