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Home > Bromides > 1588441-11-5
1588441-11-5 | Benzothiazole, 2-(dibromomethyl)-
CAS No: 1588441-11-5 Catalog No: AG001QXV MDL No:MFCD22627797
Product Description
Catalog Number:
AG001QXV
Chemical Name:
Benzothiazole, 2-(dibromomethyl)-
CAS Number:
1588441-11-5
Molecular Formula:
C8H5Br2NS
Molecular Weight:
307.0050
MDL Number:
MFCD22627797
IUPAC Name:
2-(dibromomethyl)-1,3-benzothiazole
InChI:
InChI=1S/C8H5Br2NS/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H
InChI Key:
JORKRGJRBZRWPK-UHFFFAOYSA-N
SMILES:
BrC(c1nc2c(s1)cccc2)Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.849g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.003g/mol
Monoisotopic Mass:
304.851g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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