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Home > Bromides > 1190321-90-4
1190321-90-4 | Benzothiazole, 7-bromo-2-chloro-4-methyl-
CAS No: 1190321-90-4 Catalog No: AG000I0J MDL No:
Product Description
Catalog Number:
AG000I0J
Chemical Name:
Benzothiazole, 7-bromo-2-chloro-4-methyl-
CAS Number:
1190321-90-4
Molecular Formula:
C8H5BrClNS
Molecular Weight:
262.5540
IUPAC Name:
7-bromo-2-chloro-4-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H5BrClNS/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3
InChI Key:
XIBMVXIYQQPEPO-UHFFFAOYSA-N
SMILES:
Clc1sc2c(n1)c(C)ccc2Br
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.901g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.549g/mol
Monoisotopic Mass:
260.901g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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