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306963-86-0 | 2H-1,3-Benzoxazin-2-one, 6-chloro-3,4-dihydro-3-phenyl-4-thioxo-
CAS No: 306963-86-0 Catalog No: AG0030ZO MDL No:
Product Description
Catalog Number:
AG0030ZO
Chemical Name:
2H-1,3-Benzoxazin-2-one, 6-chloro-3,4-dihydro-3-phenyl-4-thioxo-
CAS Number:
306963-86-0
Molecular Formula:
C14H8ClNO2S
Molecular Weight:
289.7368
IUPAC Name:
6-chloro-3-phenyl-4-sulfanylidene-1,3-benzoxazin-2-one
InChI:
InChI=1S/C14H8ClNO2S/c15-9-6-7-12-11(8-9)13(19)16(14(17)18-12)10-4-2-1-3-5-10/h1-8H
InChI Key:
SSWVFFWGYWFKKS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=S)n(c(=O)o2)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.733g/mol
Monoisotopic Mass:
288.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| New groups of antimycobacterial agents: 6-chloro-3-phenyl-4-thioxo-2H-1,3-benzoxazine-2(3H)-ones and 6-chloro-3-phenyl-2H-1,3-benzoxazine-2,4(3H)-dithiones. | European journal of medicinal chemistry 20000101 |
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