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10514-27-9 | Isothiazole, 3-(4-methoxyphenyl)-
CAS No: 10514-27-9 Catalog No: AG0085CR MDL No:
Product Description
Catalog Number:
AG0085CR
Chemical Name:
Isothiazole, 3-(4-methoxyphenyl)-
CAS Number:
10514-27-9
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
IUPAC Name:
3-(4-methoxyphenyl)-1,2-thiazole
InChI:
InChI=1S/C10H9NOS/c1-12-9-4-2-8(3-5-9)10-6-7-13-11-10/h2-7H,1H3
InChI Key:
MGOCQASQENYOEY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nscc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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