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19951-66-7 | 2(3H)-Benzoxazolone, 5,7-dichloro-3-[(trichloromethyl)thio]-
CAS No: 19951-66-7 Catalog No: AG002C5P MDL No:
Product Description
Catalog Number:
AG002C5P
Chemical Name:
2(3H)-Benzoxazolone, 5,7-dichloro-3-[(trichloromethyl)thio]-
CAS Number:
19951-66-7
Molecular Formula:
C8H2Cl5NO2S
Molecular Weight:
353.4370
IUPAC Name:
5,7-dichloro-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H2Cl5NO2S/c9-3-1-4(10)6-5(2-3)14(7(15)16-6)17-8(11,12)13/h1-2H
InChI Key:
QFIALTZVDVFWPU-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)n(SC(Cl)(Cl)Cl)c(=O)o2
NSC Number:
35920
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.822g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.419g/mol
Monoisotopic Mass:
350.825g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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