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192647-96-4 | 2H-1,4-Benzoxazine-3(4H)-thione, 8-chloro-6-(trifluoromethoxy)-
CAS No: 192647-96-4 Catalog No: AG002G65 MDL No:
Product Description
Catalog Number:
AG002G65
Chemical Name:
2H-1,4-Benzoxazine-3(4H)-thione, 8-chloro-6-(trifluoromethoxy)-
CAS Number:
192647-96-4
Molecular Formula:
C9H5ClF3NO2S
Molecular Weight:
283.6547
IUPAC Name:
8-chloro-6-(trifluoromethoxy)-4H-1,4-benzoxazine-3-thione
InChI:
InChI=1S/C9H5ClF3NO2S/c10-5-1-4(16-9(11,12)13)2-6-8(5)15-3-7(17)14-6/h1-2H,3H2,(H,14,17)
InChI Key:
NGKCFIPTYFZLEL-UHFFFAOYSA-N
SMILES:
S=C1COc2c(N1)cc(cc2Cl)OC(F)(F)F
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.968g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.649g/mol
Monoisotopic Mass:
282.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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