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114212-86-1 | 1,2,4-Oxadiazol-5-amine, 3-(4-chlorophenyl)-
CAS No: 114212-86-1 Catalog No: AG000AT3 MDL No:MFCD09054682
Product Description
Catalog Number:
AG000AT3
Chemical Name:
1,2,4-Oxadiazol-5-amine, 3-(4-chlorophenyl)-
CAS Number:
114212-86-1
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD09054682
IUPAC Name:
3-(4-chlorophenyl)-1,2,4-oxadiazol-5-amine
InChI:
InChI=1S/C8H6ClN3O/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
InChI Key:
IDZRRWKAVUBFQF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1noc(n1)N
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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