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1190322-01-0 | Benzothiazole, 5,7-dibromo-2-chloro-
CAS No: 1190322-01-0 Catalog No: AG000I09 MDL No:MFCD12962850
Product Description
Catalog Number:
AG000I09
Chemical Name:
Benzothiazole, 5,7-dibromo-2-chloro-
CAS Number:
1190322-01-0
Molecular Formula:
C7H2Br2ClNS
Molecular Weight:
327.4235
MDL Number:
MFCD12962850
IUPAC Name:
5,7-dibromo-2-chloro-1,3-benzothiazole
InChI:
InChI=1S/C7H2Br2ClNS/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H
InChI Key:
XOLXSDGSOGYDRJ-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)nc(s2)Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.794g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.418g/mol
Monoisotopic Mass:
324.796g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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