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2516-40-7 | Benzothiazole, 2-bromo-
CAS No: 2516-40-7 Catalog No: AG002QP9 MDL No:MFCD02681887
Product Description
Catalog Number:
AG002QP9
Chemical Name:
Benzothiazole, 2-bromo-
CAS Number:
2516-40-7
Molecular Formula:
C7H4BrNS
Molecular Weight:
214.0824
MDL Number:
MFCD02681887
IUPAC Name:
2-bromo-1,3-benzothiazole
InChI:
InChI=1S/C7H4BrNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChI Key:
DRLMMVPCYXFPEP-UHFFFAOYSA-N
SMILES:
Brc1nc2c(s1)cccc2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.925g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.08g/mol
Monoisotopic Mass:
212.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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