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182344-57-6 | Benzothiazole, 4-bromo-2-chloro-
CAS No: 182344-57-6 Catalog No: AG0023OU MDL No:MFCD04971817
Product Description
Catalog Number:
AG0023OU
Chemical Name:
Benzothiazole, 4-bromo-2-chloro-
CAS Number:
182344-57-6
Molecular Formula:
C7H3BrClNS
Molecular Weight:
248.5274
MDL Number:
MFCD04971817
IUPAC Name:
4-bromo-2-chloro-1,3-benzothiazole
InChI:
InChI=1S/C7H3BrClNS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H
InChI Key:
HWPFBBVUHHRYMR-UHFFFAOYSA-N
SMILES:
Clc1sc2c(n1)c(Br)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:
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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