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14607-06-8 | Phenol, 2-[2-(6-bromo-2-benzothiazolyl)diazenyl]-4-methyl-
CAS No: 14607-06-8 Catalog No: AG001DOA MDL No:
Product Description
Catalog Number:
AG001DOA
Chemical Name:
Phenol, 2-[2-(6-bromo-2-benzothiazolyl)diazenyl]-4-methyl-
CAS Number:
14607-06-8
Molecular Formula:
C14H10BrN3OS
Molecular Weight:
348.2177
IUPAC Name:
2-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]-4-methylphenol
InChI:
InChI=1S/C14H10BrN3OS/c1-8-2-5-12(19)11(6-8)17-18-14-16-10-4-3-9(15)7-13(10)20-14/h2-7,19H,1H3
InChI Key:
GKMWESZBIQKJNK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)sc(n2)N=Nc1cc(C)ccc1O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.973g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.218g/mol
Monoisotopic Mass:
346.973g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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