AG00I45D

214470-68-5 | 3-Quinolinecarbonitrile, 4-chloro-7-(3-chloropropoxy)-6-methoxy-

AG00I45D

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CAS Number	214470-68-5
Catalog Number	AG00I45D(AGN-PC-004NGB)
Chemical Name	3-Quinolinecarbonitrile, 4-chloro-7-(3-chloropropoxy)-6-methoxy-
IUPAC Name	4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile
InChI	InChI=1S/C14H12Cl2N2O2/c1-19-12-5-10-11(6-13(12)20-4-2-3-15)18-8-9(7-17)14(10)16/h5-6,8H,2-4H2,1H3
InChI Key	BEGHZKYNLSIHIA-UHFFFAOYSA-N
MDL Number	MFCD09833974
Molecular Formula	C14H12Cl2N2O2
Molecular Weight	311.1633
SMILES	N#CC1=C(Cl)C2=CC(OC)=C(OCCCCl)C=C2N=C1
Synonyms	214470-68-5, 4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile, 4-CHLORO-7-(3-CHLORO-PROPOXY)-6-METHOXY-QUINOLINE-3-CARBONITRILE, AK157947, 4-chloro-7-(3-chloropropoxy)-6-methoxy-3-quinolinecarbonitrile, 4-chloro-7-(3-chloropropoxy)-3-cyano-6-methoxyquinoline, SCHEMBL4296487, DTXSID20459233, BEGHZKYNLSIHIA-UHFFFAOYSA-N, BCP16741, 3-Quinolinecarbonitrile, 4-chloro-7-(3-chloropropoxy)-6-methoxy-, MFCD09833974, ZINC22012782, AKOS024262308, QC-1110, AC-25026, AJ-80528, SC-87812, SY042638, AX8259811, 4CH-022539, ST24043619, MFCD09833974 (95%), 4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-, 4-Chloro-6-methoxy-7-(3-chloropropoxy)quinoline-3-carbonitrile, 3-Quinolinecarbonitrile,4-chloro-7-(3-chloropropoxy)-6-methoxy-, 7-(3-Chloro-propoxy)-4-chloro-6-methoxy-quinoline-3-carbonitrile, CID11220637, 4-chloro-7-(3-chloropropoxy)-6-methoxy-quinoline-3-carbonitrile,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	310.028g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	311.162g/mol
Monoisotopic Mass	310.028g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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

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