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144584-03-2 | 4H-3,1-Benzoxazin-4-one, 2-(2,2-dichloro-1,1,2-trifluoroethyl)-
CAS No: 144584-03-2 Catalog No: AG001JSW MDL No:
Product Description
Catalog Number:
AG001JSW
Chemical Name:
4H-3,1-Benzoxazin-4-one, 2-(2,2-dichloro-1,1,2-trifluoroethyl)-
CAS Number:
144584-03-2
Molecular Formula:
C10H4Cl2F3NO2
Molecular Weight:
298.0455
IUPAC Name:
2-(2,2-dichloro-1,1,2-trifluoroethyl)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C10H4Cl2F3NO2/c11-10(12,15)9(13,14)8-16-6-4-2-1-3-5(6)7(17)18-8/h1-4H
InChI Key:
OYNGJYMFSJRMNX-UHFFFAOYSA-N
SMILES:
O=c1oc(nc2c1cccc2)C(C(Cl)(Cl)F)(F)F
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.957g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.042g/mol
Monoisotopic Mass:
296.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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