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Home > Fluorides > 823190-64-3
823190-64-3 | 2H-1,3-Benzoxazin-2-one, 7-methoxy-4-(trifluoromethyl)-
CAS No: 823190-64-3 Catalog No: AG005527 MDL No:
Product Description
Catalog Number:
AG005527
Chemical Name:
2H-1,3-Benzoxazin-2-one, 7-methoxy-4-(trifluoromethyl)-
CAS Number:
823190-64-3
Molecular Formula:
C10H6F3NO3
Molecular Weight:
245.1547
IUPAC Name:
7-methoxy-4-(trifluoromethyl)-1,3-benzoxazin-2-one
InChI:
InChI=1S/C10H6F3NO3/c1-16-5-2-3-6-7(4-5)17-9(15)14-8(6)10(11,12)13/h2-4H,1H3
InChI Key:
UWPYCCSJUKSBRS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)nc2C(F)(F)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.157g/mol
Monoisotopic Mass:
245.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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