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86685-95-2 | 3-(3-Chlorophenyl)isoxazol-5-amine
CAS No: 86685-95-2 Catalog No: AG004KLF MDL No:MFCD07383023
Product Description
Catalog Number:
AG004KLF
Chemical Name:
3-(3-Chlorophenyl)isoxazol-5-amine
CAS Number:
86685-95-2
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD07383023
IUPAC Name:
3-(3-chlorophenyl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChI Key:
LSTPIZJDZXGQFB-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1noc(c1)N
Properties
Complexity:
179
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
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