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332187-61-8 | 1’-Boc-6-chlorospiro[4H-3,1-benzoxazine-4,4’-piperidin]-2(1H)-one
CAS No: 332187-61-8 Catalog No: AG003DTL MDL No:MFCD10566066
Product Description
Catalog Number:
AG003DTL
Chemical Name:
1’-Boc-6-chlorospiro[4H-3,1-benzoxazine-4,4’-piperidin]-2(1H)-one
CAS Number:
332187-61-8
Molecular Formula:
C17H21ClN2O4
Molecular Weight:
352.8126
MDL Number:
MFCD10566066
IUPAC Name:
tert-butyl 6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C17H21ClN2O4/c1-16(2,3)24-15(22)20-8-6-17(7-9-20)12-10-11(18)4-5-13(12)19-14(21)23-17/h4-5,10H,6-9H2,1-3H3,(H,19,21)
InChI Key:
ORBJFEDABMATJI-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2C2(O1)CCN(CC2)C(=O)OC(C)(C)C)Cl
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.815g/mol
Monoisotopic Mass:
352.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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