AG00EKVR

64942-87-6 | 7-Bromo-2,3-dihydro-1,8-naphthyridin-4(1H)-one

AG00EKVR

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CAS Number	64942-87-6
Catalog Number	AG00EKVR(AGN-PC-0NIZ0G)
Chemical Name	7-Bromo-2,3-dihydro-1,8-naphthyridin-4(1H)-one
IUPAC Name	7-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one
InChI	InChI=1S/C8H7BrN2O/c9-7-2-1-5-6(12)3-4-10-8(5)11-7/h1-2H,3-4H2,(H,10,11)
InChI Key	RMXWWJQHIWXRIT-UHFFFAOYSA-N
MDL Number	MFCD09834136
Molecular Formula	C8H7BrN2O
Molecular Weight	227.0580
SMILES	BrC1=CC=C2C(=O)CCNC2=N1
Synonyms	7-BROMO-2,3-DIHYDRO-1,8-NAPHTHYRIDIN-4(1H)-ONE, 64942-87-6, 1,8-Naphthyridin-4(1H)-one, 7-bromo-2,3-dihydro-, SCHEMBL1600475, CTK8B8006, DTXSID20498349, RMXWWJQHIWXRIT-UHFFFAOYSA-N, 9935AB, ANW-59112, MFCD09834136, ZINC66054643, AKOS016002293, FCH1393866, AK-48432, AS-35587, DA-17689, SC-34427, AB0073436, AJ-115689, AX8211569, TC-147857, FT-0688720, W-4251, 7-bromo-2,3-dihydro-1H-[1,8]naphthyridin-4-one, C8H7BrN2O,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.061g/mol
Monoisotopic Mass	225.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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