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1306738-41-9 | Benzenemethanamine, 4-(1,2,4-oxadiazol-3-yl)-
CAS No: 1306738-41-9 Catalog No: AG000URR MDL No:MFCD18916996
Product Description
Catalog Number:
AG000URR
Chemical Name:
Benzenemethanamine, 4-(1,2,4-oxadiazol-3-yl)-
CAS Number:
1306738-41-9
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD18916996
IUPAC Name:
[4-(1,2,4-oxadiazol-3-yl)phenyl]methanamine
InChI:
InChI=1S/C9H9N3O/c10-5-7-1-3-8(4-2-7)9-11-6-13-12-9/h1-4,6H,5,10H2
InChI Key:
VRTGDVLIPISYLR-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)c1nocn1
Properties
Complexity:
157
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:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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