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92926-63-1 | 6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazin-4,4'-piperidine]
CAS No: 92926-63-1 Catalog No: AG003N70 MDL No:MFCD10566065
Product Description
Catalog Number:
AG003N70
Chemical Name:
6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazin-4,4'-piperidine]
CAS Number:
92926-63-1
Molecular Formula:
C12H13ClN2O2
Molecular Weight:
252.6968
MDL Number:
MFCD10566065
IUPAC Name:
6-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
InChI:
InChI=1S/C12H13ClN2O2/c13-8-1-2-10-9(7-8)12(17-11(16)15-10)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16)
InChI Key:
YVMBDVRYWIKNEA-UHFFFAOYSA-N
SMILES:
O=C1OC2(CCNCC2)c2c(N1)ccc(c2)Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.698g/mol
Monoisotopic Mass:
252.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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