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89433-42-1 | 2H-3,1-Benzoxazin-2-one, 6-(4-chlorobutoxy)-1,4-dihydro-4,4-dimethyl-
CAS No: 89433-42-1 Catalog No: AG00443J MDL No:
Product Description
Catalog Number:
AG00443J
Chemical Name:
2H-3,1-Benzoxazin-2-one, 6-(4-chlorobutoxy)-1,4-dihydro-4,4-dimethyl-
CAS Number:
89433-42-1
Molecular Formula:
C14H18ClNO3
Molecular Weight:
283.7506
IUPAC Name:
6-(4-chlorobutoxy)-4,4-dimethyl-1H-3,1-benzoxazin-2-one
InChI:
InChI=1S/C14H18ClNO3/c1-14(2)11-9-10(18-8-4-3-7-15)5-6-12(11)16-13(17)19-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChI Key:
KJVNVGXMQTYYTA-UHFFFAOYSA-N
SMILES:
ClCCCCOc1ccc2c(c1)C(C)(C)OC(=O)N2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.752g/mol
Monoisotopic Mass:
283.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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