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Home > Bromides > 1261561-64-1
1261561-64-1 | 7-Benzothiazolol, 2-bromo-
CAS No: 1261561-64-1 Catalog No: AG000RU0 MDL No:
Product Description
Catalog Number:
AG000RU0
Chemical Name:
7-Benzothiazolol, 2-bromo-
CAS Number:
1261561-64-1
Molecular Formula:
C7H4BrNOS
Molecular Weight:
230.0818
IUPAC Name:
2-bromo-1,3-benzothiazol-7-ol
InChI:
InChI=1S/C7H4BrNOS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H
InChI Key:
KRLIQZYTQKATIR-UHFFFAOYSA-N
SMILES:
Brc1nc2c(s1)c(O)ccc2
Properties
Complexity:
157
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:
3
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:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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