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89808-76-4 | 5-(3-Chlorophenyl)-1,3-oxazole
CAS No: 89808-76-4 Catalog No: AG00345R MDL No:MFCD00084974
Product Description
Catalog Number:
AG00345R
Chemical Name:
5-(3-Chlorophenyl)-1,3-oxazole
CAS Number:
89808-76-4
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD00084974
IUPAC Name:
5-(3-chlorophenyl)-1,3-oxazole
InChI:
InChI=1S/C9H6ClNO/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H
InChI Key:
NJVHPUNGYNOCQN-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1cnco1
Properties
Complexity:
154
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
Literature
| Title | Journal |
|---|---|
| Study on cytochrome p-450 dependent retinoic Acid metabolism and its inhibitors as potential agents for cancer therapy. | Scientia pharmaceutica 20110101 |
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