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101078-75-5 | Benzothiazole, 2-[4-(bromomethyl)phenyl]-6-methoxy-
CAS No: 101078-75-5 Catalog No: AG0003O1 MDL No:
Product Description
Catalog Number:
AG0003O1
Chemical Name:
Benzothiazole, 2-[4-(bromomethyl)phenyl]-6-methoxy-
CAS Number:
101078-75-5
Molecular Formula:
C15H12BrNOS
Molecular Weight:
334.2309
IUPAC Name:
2-[4-(bromomethyl)phenyl]-6-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C15H12BrNOS/c1-18-12-6-7-13-14(8-12)19-15(17-13)11-4-2-10(9-16)3-5-11/h2-8H,9H2,1H3
InChI Key:
KOXGRZITWONDFB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)c1ccc(cc1)CBr
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.982g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.231g/mol
Monoisotopic Mass:
332.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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