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30953-65-2 | Benzenamine, 4-chloro-N-methyl-, hydrochloride (1:1)
CAS No: 30953-65-2 Catalog No: AG0031QC MDL No:MFCD00050524
Product Description
Catalog Number:
AG0031QC
Chemical Name:
Benzenamine, 4-chloro-N-methyl-, hydrochloride (1:1)
CAS Number:
30953-65-2
Molecular Formula:
C7H9Cl2N
Molecular Weight:
178.0591
MDL Number:
MFCD00050524
IUPAC Name:
4-chloro-N-methylaniline;hydrochloride
InChI:
InChI=1S/C7H8ClN.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5,9H,1H3;1H
InChI Key:
IOZPHXLDIMSTRH-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)Cl.Cl
Properties
Complexity:
77
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.056g/mol
Monoisotopic Mass:
177.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100501 |
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