Home Other Building Blocks 5-(3-Chlorophenyl)-1,3-oxazole

5-(3-Chlorophenyl)-1,3-oxazole

CAS No.:
89808-76-4
Catalog Number:
AG00345R
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
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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
Properties