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89433-31-8 | 2H-3,1-Benzoxazin-2-one, 6-(2-chloroethoxy)-1,4-dihydro-4,4-dimethyl-
CAS No: 89433-31-8 Catalog No: AG0043OF MDL No:
Product Description
Catalog Number:
AG0043OF
Chemical Name:
2H-3,1-Benzoxazin-2-one, 6-(2-chloroethoxy)-1,4-dihydro-4,4-dimethyl-
CAS Number:
89433-31-8
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
IUPAC Name:
6-(2-chloroethoxy)-4,4-dimethyl-1H-3,1-benzoxazin-2-one
InChI:
InChI=1S/C12H14ClNO3/c1-12(2)9-7-8(16-6-5-13)3-4-10(9)14-11(15)17-12/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChI Key:
OTFHMMDIBPHFDB-UHFFFAOYSA-N
SMILES:
ClCCOc1ccc2c(c1)C(C)(C)OC(=O)N2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.698g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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