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14731-10-3 | Isoxazole, 3-(chloromethyl)-5-phenyl-
CAS No: 14731-10-3 Catalog No: AG001ESF MDL No:MFCD01444154
Product Description
Catalog Number:
AG001ESF
Chemical Name:
Isoxazole, 3-(chloromethyl)-5-phenyl-
CAS Number:
14731-10-3
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
MDL Number:
MFCD01444154
IUPAC Name:
3-(chloromethyl)-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C10H8ClNO/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-6H,7H2
InChI Key:
MLJJRVMANUGETQ-UHFFFAOYSA-N
SMILES:
ClCc1noc(c1)c1ccccc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.63g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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