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36341-25-0 | Phenol,4-(2-benzothiazolyl)-2-methoxy-
CAS No: 36341-25-0 Catalog No: AG007A4C MDL No:MFCD00030231
Product Description
Catalog Number:
AG007A4C
Chemical Name:
Phenol,4-(2-benzothiazolyl)-2-methoxy-
CAS Number:
36341-25-0
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
MDL Number:
MFCD00030231
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-2-methoxyphenol
InChI:
InChI=1S/C14H11NO2S/c1-17-12-8-9(6-7-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3
InChI Key:
KRVBOHJNAFQFPW-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)c1nc2c(s1)cccc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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