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101862-42-4 | 5-Isoxazolemethanol, 3-(3-chlorophenyl)-
CAS No: 101862-42-4 Catalog No: AG0005SK MDL No:MFCD19105424
Product Description
Catalog Number:
AG0005SK
Chemical Name:
5-Isoxazolemethanol, 3-(3-chlorophenyl)-
CAS Number:
101862-42-4
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD19105424
IUPAC Name:
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C10H8ClNO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2
InChI Key:
OHRGKDSKISQNMO-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)c1cccc(c1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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