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2587-02-2 | 4-Amino-2,6-Dichloropyridine
CAS No: 2587-02-2 Catalog No: AG0033W1 MDL No:MFCD00052832
Product Description
Catalog Number:
AG0033W1
Chemical Name:
4-Amino-2,6-Dichloropyridine
CAS Number:
2587-02-2
Molecular Formula:
C5H4Cl2N2
Molecular Weight:
163.0047
MDL Number:
MFCD00052832
IUPAC Name:
2,6-dichloropyridin-4-amine
InChI:
InChI=1S/C5H4Cl2N2/c6-4-1-3(8)2-5(7)9-4/h1-2H,(H2,8,9)
InChI Key:
WAEZOSSWRXDWAX-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)nc(c1)Cl
NSC Number:
136573
Properties
Complexity:
89
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.001g/mol
Monoisotopic Mass:
161.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060901 |
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