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87527-55-7 | 1,3,4-Thiadiazol-2-amine, 5-[3-(2-chlorophenoxy)propyl]-
CAS No: 87527-55-7 Catalog No: AG004HAG MDL No:
Product Description
Catalog Number:
AG004HAG
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[3-(2-chlorophenoxy)propyl]-
CAS Number:
87527-55-7
Molecular Formula:
C11H12ClN3OS
Molecular Weight:
269.7505
IUPAC Name:
5-[3-(2-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H12ClN3OS/c12-8-4-1-2-5-9(8)16-7-3-6-10-14-15-11(13)17-10/h1-2,4-5H,3,6-7H2,(H2,13,15)
InChI Key:
PEJMUBDTKRRGKJ-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)CCCOc1ccccc1Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.747g/mol
Monoisotopic Mass:
269.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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