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120107-40-6 | Benzenamine, 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 120107-40-6 Catalog No: AG000QCL MDL No:
Product Description
Catalog Number:
AG000QCL
Chemical Name:
Benzenamine, 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
120107-40-6
Molecular Formula:
C14H10ClN3O
Molecular Weight:
271.7017
IUPAC Name:
2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
InChI:
InChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13-17-18-14(19-13)11-3-1-2-4-12(11)16/h1-8H,16H2
InChI Key:
CZNYJWQJSGRKRA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nnc(o1)c1ccccc1N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.704g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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