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19951-63-4 | 2(3H)-Benzoxazolone, 6-bromo-3-[(trichloromethyl)thio]-
CAS No: 19951-63-4 Catalog No: AG002C5Q MDL No:
Product Description
Catalog Number:
AG002C5Q
Chemical Name:
2(3H)-Benzoxazolone, 6-bromo-3-[(trichloromethyl)thio]-
CAS Number:
19951-63-4
Molecular Formula:
C8H3BrCl3NO2S
Molecular Weight:
363.4429
IUPAC Name:
6-bromo-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H3BrCl3NO2S/c9-4-1-2-5-6(3-4)15-7(14)13(5)16-8(10,11)12/h1-3H
InChI Key:
VNLJZHCGCLQMGG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)oc(=O)n2SC(Cl)(Cl)Cl
NSC Number:
35918
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.813g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.431g/mol
Monoisotopic Mass:
360.813g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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