AG00IAKC

59514-93-1 | 1,8-Naphthyridin-2(1H)-one, 4-chloro-

AG00IAKC

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CAS Number	59514-93-1
Catalog Number	AG00IAKC(AGN-PC-0NKJPU)
Chemical Name	1,8-Naphthyridin-2(1H)-one, 4-chloro-
IUPAC Name	4-chloro-1H-1,8-naphthyridin-2-one
InChI	InChI=1S/C8H5ClN2O/c9-6-4-7(12)11-8-5(6)2-1-3-10-8/h1-4H,(H,10,11,12)
InChI Key	JTKWCVXNACUCAQ-UHFFFAOYSA-N
MDL Number	MFCD24556140
Molecular Formula	C8H5ClN2O
Molecular Weight	180.5911
SMILES	O=C1NC2=C(C=CC=N2)C(Cl)=C1
Synonyms	4-Chloro-1,8-naphthyridin-2(1H)-one, 59514-93-1, 1,8-Naphthyridin-2(1H)-one, 4-chloro-, SCHEMBL829772, CTK1E7220, DTXSID50576361, KS-00000S6X, MFCD24556140, ZINC98179078, AKOS022189180, DS-9162, FCH1868006, AK149545, AJ-140184, AX8286799, 4-CHLORO-1H-1,8-NAPHTHYRIDIN-2-ONE,

Complexity	239
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	0.9

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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