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823190-65-4 | 2H-1,3-Benzoxazin-2-one, 7-ethoxy-4-(trichloromethyl)-
CAS No: 823190-65-4 Catalog No: AG005526 MDL No:
Product Description
Catalog Number:
AG005526
Chemical Name:
2H-1,3-Benzoxazin-2-one, 7-ethoxy-4-(trichloromethyl)-
CAS Number:
823190-65-4
Molecular Formula:
C11H8Cl3NO3
Molecular Weight:
308.5451
IUPAC Name:
7-ethoxy-4-(trichloromethyl)-1,3-benzoxazin-2-one
InChI:
InChI=1S/C11H8Cl3NO3/c1-2-17-6-3-4-7-8(5-6)18-10(16)15-9(7)11(12,13)14/h3-5H,2H2,1H3
InChI Key:
LBDZBLHYDXTCDT-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)oc(=O)nc2C(Cl)(Cl)Cl
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.957g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.539g/mol
Monoisotopic Mass:
306.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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