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1673-45-6 | 1,3,4-Oxadiazol-2-amine, 5-(3-chlorophenyl)-
CAS No: 1673-45-6 Catalog No: AG001XAC MDL No:MFCD01710628
Product Description
Catalog Number:
AG001XAC
Chemical Name:
1,3,4-Oxadiazol-2-amine, 5-(3-chlorophenyl)-
CAS Number:
1673-45-6
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD01710628
IUPAC Name:
5-(3-chlorophenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChI Key:
ZESRETSPEZRIPB-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1nnc(o1)N
Properties
Complexity:
181
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:
1.7
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