AG001Q36

158299-05-9 | Spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, 3-(2-bromo-1-oxopropyl)-

AG001Q36

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CAS Number	158299-05-9
Catalog Number	AG001Q36(AGN-PC-0N2STB)
Chemical Name	Spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, 3-(2-bromo-1-oxopropyl)-
IUPAC Name	3-(2-bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one
InChI	InChI=1S/C16H18BrNO3/c1-11(17)14(19)18-15(20)12-7-3-4-8-13(12)21-16(18)9-5-2-6-10-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChI Key	APCHXTHKSJHPPE-UHFFFAOYSA-N
MDL Number	MFCD27945664
Molecular Formula	C16H18BrNO3
Molecular Weight	352.2230
SMILES	C(=O)(C(Br)C)N1C2(Oc3c(C1=O)cccc3)CCCCC2
Synonyms	158299-05-9, 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one, 3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, AK-88808, APCHXTHKSJHPPE-UHFFFAOYSA-N, SCHEMBL7504135, CTK0H4536, KS-00000IXG, DTXSID60438380, BCP12972, 7942AA, ANW-44836, MFCD08458252, AKOS015908735, AC-5314, AM84520, RP17682, AN-11137, CC-12248, DS-18525, SY108444, AX8018632, RT-004459, FT-0654044, FT-0699996, ST24028275, MFCD08458252 (95%), 299B059, A809919, C-35315, I14-3452, J-510488, 3-(2-bromanylpropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one, 3-(2-bromo-1-oxopropyl)-4-spiro[1,3-benzoxazine-2,1'-cyclohexane]one, 3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, 3-(2-Bromopropionyl)-2,2-pentamethylene-2H-1,3-benzoxazine-4(3H)-one, 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1\'-cyclohexan]-4(3H)-one, 3-(2-bromopropionyl)-spiro[2,3-dihydro-4H-1,3-benzoxazine-2,1'-cyclohexan]-4-one, Spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, 3-(2-bromo-1-oxopropyl)-, 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1 inverted exclamation mark -cyclohexan]-4(3H)-one, C16H18BrNO3, 2-Fluoro-6-methoxybenzaldehyde, ACN-053878, CID10338052, 8-(2-bromopropanoyl)spiro[10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-9,1'-cyclohexane]-7-one, R-(-)-3-(tert-Butyldimethylsilyloxy)glutaric acid monomethyl ester monoethyl carbonate anhydride,

Complexity	433
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	351.047g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	352.228g/mol
Monoisotopic Mass	351.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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