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73443-85-3 | 4-Bromobenzo[d]thiazol-2(3H)-one
CAS No: 73443-85-3 Catalog No: AG005E0F MDL No:
Product Description
Catalog Number:
AG005E0F
Chemical Name:
4-Bromobenzo[d]thiazol-2(3H)-one
CAS Number:
73443-85-3
Molecular Formula:
C7H4BrNOS
Molecular Weight:
230.0818
IUPAC Name:
4-bromo-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H4BrNOS/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
InChI Key:
JOFGIHYTADMYMX-UHFFFAOYSA-N
SMILES:
O=c1sc2c([nH]1)c(Br)ccc2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.92g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.079g/mol
Monoisotopic Mass:
228.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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