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1750-78-3 | 1,3,4-Oxadiazol-2-amine, 5-(2-methylphenyl)-
CAS No: 1750-78-3 Catalog No: AG00203C MDL No:MFCD00652824
Product Description
Catalog Number:
AG00203C
Chemical Name:
1,3,4-Oxadiazol-2-amine, 5-(2-methylphenyl)-
CAS Number:
1750-78-3
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD00652824
IUPAC Name:
5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C9H9N3O/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChI Key:
FOBZVVKLLZAFGN-UHFFFAOYSA-N
SMILES:
Nc1nnc(o1)c1ccccc1C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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