Home Halogens 4-(2-chloroethyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

4-(2-chloroethyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS No.:
1094288-54-6
Catalog Number:
AG01A338
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
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Product Description
Catalog Number:
AG01A338
Chemical Name:
4-(2-chloroethyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS Number:
1094288-54-6
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD11207473
IUPAC Name:
4-(2-chloroethyl)-2-methyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C11H12ClNO2/c1-8-11(14)13(7-6-12)9-4-2-3-5-10(9)15-8/h2-5,8H,6-7H2,1H3
InChI Key:
BGUJXTNPNHMXOY-UHFFFAOYSA-N
SMILES:
ClCCN1C(=O)C(C)Oc2c1cccc2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties