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30612-17-0 | Phenol, 2-(2-benzothiazolyl)-4-methoxy-
CAS No: 30612-17-0 Catalog No: AG0030O2 MDL No:MFCD16429123
Product Description
Catalog Number:
AG0030O2
Chemical Name:
Phenol, 2-(2-benzothiazolyl)-4-methoxy-
CAS Number:
30612-17-0
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
MDL Number:
MFCD16429123
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-4-methoxyphenol
InChI:
InChI=1S/C14H11NO2S/c1-17-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)18-14/h2-8,16H,1H3
InChI Key:
AWIQPVLXRJFXQU-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1nc2c(s1)cccc2)O
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:
3.7
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