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Home Halogens N-Methyl 4-chloroaniline, HCl

N-Methyl 4-chloroaniline, HCl

CAS No.:
30953-65-2
Catalog Number:
AG0031QC
Molecular Formula:
C7H9Cl2N
Molecular Weight:
178.0591
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$50
- +
25g
97%
In Stock USA
United States
$200
- +
100g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0031QC
Chemical Name:
N-Methyl 4-chloroaniline, HCl
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
Properties