Home Halogens 3-(bromomethyl)-1,2-benzothiazole

3-(bromomethyl)-1,2-benzothiazole

CAS No.:
59057-83-9
Catalog Number:
AG01C3YA
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
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Product Description
Catalog Number:
AG01C3YA
Chemical Name:
3-(bromomethyl)-1,2-benzothiazole
CAS Number:
59057-83-9
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD25965128
IUPAC Name:
3-(bromomethyl)-1,2-benzothiazole
InChI:
InChI=1S/C8H6BrNS/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2
InChI Key:
SJQDCNIUVMYRBH-UHFFFAOYSA-N
SMILES:
BrCc1nsc2c1cccc2
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.94g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.107g/mol
Monoisotopic Mass:
226.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties