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828911-26-8 | 5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-amine
CAS No: 828911-26-8 Catalog No: AG00559N MDL No:MFCD09807212
Product Description
Catalog Number:
AG00559N
Chemical Name:
5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-amine
CAS Number:
828911-26-8
Molecular Formula:
C9H8FN3O
Molecular Weight:
193.1777
MDL Number:
MFCD09807212
IUPAC Name:
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C9H8FN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChI Key:
YZCYIPLTOREIPI-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cc1nnc(o1)N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.181g/mol
Monoisotopic Mass:
193.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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