Home Halogens Isoxazole, 3-(3-chlorophenyl)-

Isoxazole, 3-(3-chlorophenyl)-

CAS No.:
89047-06-3
Catalog Number:
AG004321
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
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Product Description
Catalog Number:
AG004321
Chemical Name:
Isoxazole, 3-(3-chlorophenyl)-
CAS Number:
89047-06-3
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD28149707
IUPAC Name:
3-(3-chlorophenyl)-1,2-oxazole
InChI:
InChI=1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9-4-5-12-11-9/h1-6H
InChI Key:
XDAQASRSEXIITC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1nocc1
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:
2.7  
Properties