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904085-96-7 | 3-(Isothiazol-5-yl);phenol
CAS No: 904085-96-7 Catalog No: AG006QL2 MDL No:
Product Description
Catalog Number:
AG006QL2
Chemical Name:
3-(Isothiazol-5-yl);phenol
CAS Number:
904085-96-7
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
IUPAC Name:
3-(1,2-thiazol-5-yl)phenol
InChI:
InChI=1S/C9H7NOS/c11-8-3-1-2-7(6-8)9-4-5-10-12-9/h1-6,11H
InChI Key:
FCDPMAHEIXHRCH-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1ccns1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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