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131337-68-3 | Benzothiazole, 2-(bromomethyl)-5-methoxy-
CAS No: 131337-68-3 Catalog No: AG000VYH MDL No:
Product Description
Catalog Number:
AG000VYH
Chemical Name:
Benzothiazole, 2-(bromomethyl)-5-methoxy-
CAS Number:
131337-68-3
Molecular Formula:
C9H8BrNOS
Molecular Weight:
258.1349
IUPAC Name:
2-(bromomethyl)-5-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C9H8BrNOS/c1-12-6-2-3-8-7(4-6)11-9(5-10)13-8/h2-4H,5H2,1H3
InChI Key:
CVAFJSPTOVRIHQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)CBr
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.133g/mol
Monoisotopic Mass:
256.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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