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125872-96-0 | Benzothiazole, 5-(bromomethyl)-2-methyl-
CAS No: 125872-96-0 Catalog No: AG000OWG MDL No:
Product Description
Catalog Number:
AG000OWG
Chemical Name:
Benzothiazole, 5-(bromomethyl)-2-methyl-
CAS Number:
125872-96-0
Molecular Formula:
C9H8BrNS
Molecular Weight:
242.1355
IUPAC Name:
5-(bromomethyl)-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C9H8BrNS/c1-6-11-8-4-7(5-10)2-3-9(8)12-6/h2-4H,5H2,1H3
InChI Key:
KRFQAVUFGKIXSK-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)nc(s2)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.956g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.134g/mol
Monoisotopic Mass:
240.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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