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824403-26-1 | 5-Bromo-2-chloro-benzothiazole
CAS No: 824403-26-1 Catalog No: AG0036IZ MDL No:MFCD09749227
Product Description
Catalog Number:
AG0036IZ
Chemical Name:
5-Bromo-2-chloro-benzothiazole
CAS Number:
824403-26-1
Molecular Formula:
C7H3BrClNS
Molecular Weight:
248.5274
MDL Number:
MFCD09749227
IUPAC Name:
5-bromo-2-chloro-1,3-benzothiazole
InChI:
InChI=1S/C7H3BrClNS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
InChI Key:
CQHUAYKIQCBOKY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(s2)Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.886g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.522g/mol
Monoisotopic Mass:
246.886g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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