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1008-94-2 | Oxazole, 5-(4-chlorophenyl)-
CAS No: 1008-94-2 Catalog No: AG0002X6 MDL No:MFCD09258870
Product Description
Catalog Number:
AG0002X6
Chemical Name:
Oxazole, 5-(4-chlorophenyl)-
CAS Number:
1008-94-2
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD09258870
IUPAC Name:
5-(4-chlorophenyl)-1,3-oxazole
InChI:
InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
InChI Key:
PJKPHOIIYXTDIA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ocnc1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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