Home Other Building Blocks 5-Bromo-2(3h)-benzothiazolone

5-Bromo-2(3h)-benzothiazolone

CAS No.:
199475-45-1
Catalog Number:
AG002C4O
Molecular Formula:
C7H4BrNOS
Molecular Weight:
230.0818
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$125
- +
250mg
95%
In Stock USA
United States
$207
- +
1g
95%
In Stock USA
United States
$513
- +
Product Description
Catalog Number:
AG002C4O
Chemical Name:
5-Bromo-2(3h)-benzothiazolone
CAS Number:
199475-45-1
Molecular Formula:
C7H4BrNOS
Molecular Weight:
230.0818
MDL Number:
MFCD01312116
IUPAC Name:
5-bromo-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key:
BNWQDLHPYANRAV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(=O)s2
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:
2.5  
Properties