Home Other Building Blocks 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one

3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one

CAS No.:
158299-05-9
Catalog Number:
AG001Q36
Molecular Formula:
C16H18BrNO3
Molecular Weight:
352.2230
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
1 week
United States
$7
- +
10g
95%
1 week
United States
$12
- +
25g
95%
1 week
United States
$21
- +
Product Description
Catalog Number:
AG001Q36
Chemical Name:
3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
CAS Number:
158299-05-9
Molecular Formula:
C16H18BrNO3
Molecular Weight:
352.2230
MDL Number:
MFCD27945664
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
SMILES:
CC(C(=O)N1C(=O)c2ccccc2OC21CCCCC2)Br
Properties
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  
Properties