Home Halogens 6-bromo-3H-spiro[1-benzopyran-2,4'-piperidine]-4-one

6-bromo-3H-spiro[1-benzopyran-2,4'-piperidine]-4-one

CAS No.:
690632-08-7
Catalog Number:
AG005YJI
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
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Product Description
Catalog Number:
AG005YJI
Chemical Name:
6-bromo-3H-spiro[1-benzopyran-2,4'-piperidine]-4-one
CAS Number:
690632-08-7
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
MDL Number:
MFCD09262414
IUPAC Name:
6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
InChI:
InChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChI Key:
HTOKNOIQHUEHNB-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)CC1(O2)CCNCC1
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.021g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.164g/mol
Monoisotopic Mass:
295.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties