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Home > Fluorides > 1215325-65-7
1215325-65-7 | 7-(Trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
CAS No: 1215325-65-7 Catalog No: AG01F9QQ MDL No:
Product Description
Catalog Number:
AG01F9QQ
Chemical Name:
7-(Trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
CAS Number:
1215325-65-7
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
IUPAC Name:
7-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H6F3NO2/c10-9(11,12)5-1-2-6-7(3-5)15-4-8(14)13-6/h1-3H,4H2,(H,13,14)
InChI Key:
OGRPFRMNFZIHCT-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)ccc(c2)C(F)(F)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.147g/mol
Monoisotopic Mass:
217.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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