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Home Halogens Methyl 4-amino-3,5-dichlorobenzoate

Methyl 4-amino-3,5-dichlorobenzoate

CAS No.:
41727-48-4
Catalog Number:
AG00CLMQ
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(GC)
In Stock USA
United States
$53
- +
1g
98%(GC)
In Stock USA
United States
$110
- +
5g
98%(GC)
In Stock USA
United States
$219
- +
10g
98%(GC)
In Stock USA
United States
$357
- +
25g
98%(GC)
In Stock USA
United States
$696
- +
Product Description
Catalog Number:
AG00CLMQ
Chemical Name:
Methyl 4-amino-3,5-dichlorobenzoate
CAS Number:
41727-48-4
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD08436086
IUPAC Name:
methyl 4-amino-3,5-dichlorobenzoate
InChI:
InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
InChI Key:
LBEKFAUAYVGHFP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1)Cl)N
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.049g/mol
Monoisotopic Mass:
218.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening. Journal of medicinal chemistry 20110210
Properties