AG000X3H

127446-42-8 | 1,8-Naphthyridin-2(1H)-one, 6-chloro-

AG000X3H

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CAS Number	127446-42-8
Catalog Number	AG000X3H(AGN-PC-002754)
Chemical Name	1,8-Naphthyridin-2(1H)-one, 6-chloro-
IUPAC Name	6-chloro-1H-1,8-naphthyridin-2-one
InChI	InChI=1S/C8H5ClN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h1-4H,(H,10,11,12)
InChI Key	IYWRHKRVRGDEMY-UHFFFAOYSA-N
MDL Number	MFCD18260370
Molecular Formula	C8H5ClN2O
Molecular Weight	180.5911
SMILES	O=C1NC2=C(C=C(Cl)C=N2)C=C1
Synonyms	6-Chloro-1,8-naphthyridin-2(1H)-one, 127446-42-8, 6-Chloro-1,8-Naphthyridin-2-One, 6-Chloro-1,8-Naphthyridin-2-One?, AK-68313, KSC914E9L, SCHEMBL5677007, CTK8B4295, DTXSID30563219, KS-00000P5O, 5344AA, ANW-44623, MFCD18260370, WT1444, ZINC34349069, AKOS015999193, FCH1172884, AJ-88090, DS-16949, 1,8-Naphthyridin-2(1H)-one, 6-chloro-, AX8218247, TR-036969, CS-0043046, 6-chloro-1,2-dihydro-1,8-naphthyridin-2-one, H112744, 127446-42-8 6-chloro-1,8-naphthyridin-2(1H)-one, 52351-25-4, C8H5ClN2O, 6-Methoxy-2,3-dioxyindole,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.591g/mol
Monoisotopic Mass	180.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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