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122733-40-8 | BenzenaMine, 3-(5-Methyl-1,3,4-oxadiazol-2-yl)-
CAS No: 122733-40-8 Catalog No: AG000J7Y MDL No:MFCD11052289
Product Description
Catalog Number:
AG000J7Y
Chemical Name:
BenzenaMine, 3-(5-Methyl-1,3,4-oxadiazol-2-yl)-
CAS Number:
122733-40-8
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD11052289
IUPAC Name:
3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
InChI:
InChI=1S/C9H9N3O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,10H2,1H3
InChI Key:
AZLVMRYJNAZIBG-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nnc(o1)C
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:
1.1
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