Home Halogens 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea

3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea

CAS No.:
863669-63-0
Catalog Number:
AG019OKH
Molecular Formula:
C12H13ClN2O4
Molecular Weight:
284.6956
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019OKH
Chemical Name:
3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
CAS Number:
863669-63-0
Molecular Formula:
C12H13ClN2O4
Molecular Weight:
284.6956
MDL Number:
MFCD07339184
IUPAC Name:
2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide
InChI:
InChI=1S/C12H13ClN2O4/c13-7-11(16)15-12(17)14-8-2-3-9-10(6-8)19-5-1-4-18-9/h2-3,6H,1,4-5,7H2,(H2,14,15,16,17)
InChI Key:
MONUWPFXMLUCMS-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.056g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.696g/mol
Monoisotopic Mass:
284.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties