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Home > Bromides > 1190321-78-8
1190321-78-8 | Benzothiazole, 7-bromo-4-methyl-
CAS No: 1190321-78-8 Catalog No: AG000HZH MDL No:
Product Description
Catalog Number:
AG000HZH
Chemical Name:
Benzothiazole, 7-bromo-4-methyl-
CAS Number:
1190321-78-8
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
IUPAC Name:
7-bromo-4-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6BrNS/c1-5-2-3-6(9)8-7(5)10-4-11-8/h2-4H,1H3
InChI Key:
QFTJBTQBZJADQB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1ncs2)Br
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.107g/mol
Monoisotopic Mass:
226.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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