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53218-26-1 | 6-Bromo-1,3-Benzothiazole
CAS No: 53218-26-1 Catalog No: AG0034BU MDL No:MFCD04115372
Product Description
Catalog Number:
AG0034BU
Chemical Name:
6-Bromo-1,3-Benzothiazole
CAS Number:
53218-26-1
Molecular Formula:
C7H4BrNS
Molecular Weight:
214.0824
MDL Number:
MFCD04115372
IUPAC Name:
6-bromo-1,3-benzothiazole
InChI:
InChI=1S/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChI Key:
YJOUISWKEOXIMC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)scn2
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:
2.7
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