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20712-07-6 | 2,1-Benzisothiazole, 5-bromo-
CAS No: 20712-07-6 Catalog No: AG002IUC MDL No:MFCD08706414
Product Description
Catalog Number:
AG002IUC
Chemical Name:
2,1-Benzisothiazole, 5-bromo-
CAS Number:
20712-07-6
Molecular Formula:
C7H4BrNS
Molecular Weight:
214.0824
MDL Number:
MFCD08706414
IUPAC Name:
5-bromo-2,1-benzothiazole
InChI:
InChI=1S/C7H4BrNS/c8-6-1-2-7-5(3-6)4-10-9-7/h1-4H
InChI Key:
OZRILMBPXSZJAR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)csn2
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
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