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40750-59-2

40750-59-2 | 3,4-Dichloro-N-methylaniline

CAS No: 40750-59-2 Catalog No: AG003IGA MDL No:MFCD00052850

Product Description

Catalog Number:
AG003IGA
Chemical Name:
3,4-Dichloro-N-methylaniline
CAS Number:
40750-59-2
Molecular Formula:
C7H7Cl2N
Molecular Weight:
176.0432
MDL Number:
MFCD00052850
IUPAC Name:
3,4-dichloro-N-methylaniline
InChI:
InChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
InChI Key:
DUSNCFKVMGTTFK-UHFFFAOYSA-N
SMILES:
CNc1ccc(c(c1)Cl)Cl

Properties

Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.996g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.04g/mol
Monoisotopic Mass:
174.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Literature

Title Journal
Effects of dissolved organic carbon on sorption of 3,4-dichloroaniline and 4-bromoaniline in a calcareous soil. Chemosphere 20050401

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