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85290-67-1 | 4H-1,4-Benzoxazine, 2-fluoro-3-(trifluoromethyl)-
CAS No: 85290-67-1 Catalog No: AG004LSD MDL No:
Product Description
Catalog Number:
AG004LSD
Chemical Name:
4H-1,4-Benzoxazine, 2-fluoro-3-(trifluoromethyl)-
CAS Number:
85290-67-1
Molecular Formula:
C9H5F4NO
Molecular Weight:
219.1357
IUPAC Name:
2-fluoro-3-(trifluoromethyl)-4H-1,4-benzoxazine
InChI:
InChI=1S/C9H5F4NO/c10-8-7(9(11,12)13)14-5-3-1-2-4-6(5)15-8/h1-4,14H
InChI Key:
ZGXLQVSOXMJUAU-UHFFFAOYSA-N
SMILES:
FC1=C(Nc2c(O1)cccc2)C(F)(F)F
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.139g/mol
Monoisotopic Mass:
219.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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