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Home > Bromides > 1190321-82-4
1190321-82-4 | 2(3H)-Benzothiazolone, 7-bromo-4-methyl-
CAS No: 1190321-82-4 Catalog No: AG000HZD MDL No:
Product Description
Catalog Number:
AG000HZD
Chemical Name:
2(3H)-Benzothiazolone, 7-bromo-4-methyl-
CAS Number:
1190321-82-4
Molecular Formula:
C8H6BrNOS
Molecular Weight:
244.1083
IUPAC Name:
7-bromo-4-methyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H6BrNOS/c1-4-2-3-5(9)7-6(4)10-8(11)12-7/h2-3H,1H3,(H,10,11)
InChI Key:
LYMKOVLZUCMTAO-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(s1)c(Br)ccc2C
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:
1
Isotope Atom Count:
0
Molecular Weight:
244.106g/mol
Monoisotopic Mass:
242.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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