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33621-61-3 | 2-Amino-5-(4-chlorophenyl)-1,3,4-oxadiazole
CAS No: 33621-61-3 Catalog No: AG003GG3 MDL No:MFCD00461380
Product Description
Catalog Number:
AG003GG3
Chemical Name:
2-Amino-5-(4-chlorophenyl)-1,3,4-oxadiazole
CAS Number:
33621-61-3
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD00461380
IUPAC Name:
5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C8H6ClN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChI Key:
ZMWWZXSPDQIWAZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nnc(o1)N
NSC Number:
614450
Properties
Complexity:
173
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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