Home Halogens 5-Amino-3-(4-chlorophenyl)isoxazole

5-Amino-3-(4-chlorophenyl)isoxazole

CAS No.:
33866-48-7
Catalog Number:
AG003I43
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$143
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Product Description
Catalog Number:
AG003I43
Chemical Name:
5-Amino-3-(4-chlorophenyl)isoxazole
CAS Number:
33866-48-7
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD01569450
IUPAC Name:
3-(4-chlorophenyl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChI Key:
KRQFEURBUJROHA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1noc(c1)N
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties