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13065-93-5 | 1,4-Benzenediamine, N1-(4-chlorophenyl)-
CAS No: 13065-93-5 Catalog No: AG000UQO MDL No:MFCD07429574
Product Description
Catalog Number:
AG000UQO
Chemical Name:
1,4-Benzenediamine, N1-(4-chlorophenyl)-
CAS Number:
13065-93-5
Molecular Formula:
C12H11ClN2
Molecular Weight:
218.6821
MDL Number:
MFCD07429574
IUPAC Name:
4-N-(4-chlorophenyl)benzene-1,4-diamine
InChI:
InChI=1S/C12H11ClN2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H,14H2
InChI Key:
NLGIEISQJFZTIS-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Nc1ccc(cc1)Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.684g/mol
Monoisotopic Mass:
218.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Oxidation of 4-chloroaniline studied by on-line electrochemistry electrospray ionization mass spectrometry. | Analytical chemistry 20090701 |
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