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Home > Bromides > 1293363-99-1
1293363-99-1 | 2(3H)-Benzothiazolone, 5-bromo-3-methyl-
CAS No: 1293363-99-1 Catalog No: AG000Z2R MDL No:
Product Description
Catalog Number:
AG000Z2R
Chemical Name:
2(3H)-Benzothiazolone, 5-bromo-3-methyl-
CAS Number:
1293363-99-1
Molecular Formula:
C8H6BrNOS
Molecular Weight:
244.1083
IUPAC Name:
5-bromo-3-methyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H6BrNOS/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,1H3
InChI Key:
DJLKLNMMNDISGC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(C)c(=O)s2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.106g/mol
Monoisotopic Mass:
242.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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