200,000+ products from a single source!
sales@angenechem.com
199475-45-1 | 2(3H)-Benzothiazolone, 5-bromo-
CAS No: 199475-45-1 Catalog No: AG002C4O MDL No:MFCD01312116
Product Description
Catalog Number:
AG002C4O
Chemical Name:
2(3H)-Benzothiazolone, 5-bromo-
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.