Home Amines 98968-66-2
98968-66-2,MFCD27935902
Catalog No.:AA00IK4B
Benzoic acid, 3-amino-2,4-dichloro-, methyl ester | 98968-66-2
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1g
98%
in stock  
$210.00
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5g
98%
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$810.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IK4B
Chemical Name:
Benzoic acid, 3-amino-2,4-dichloro-, methyl ester
CAS Number:
98968-66-2
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD27935902
IUPAC Name:
methyl 3-amino-2,4-dichlorobenzoate
InChI:
InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-3-5(9)7(11)6(4)10/h2-3H,11H2,1H3
InChI Key:
YPEMWWHAEVJGIS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1Cl)N)Cl
Properties
Computed Properties
 
Complexity:
201  
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:
2.3  

Synonyms
 
methyl 3-amino-2,4-dichlorobenzoate 
98968-66-2 
SCHEMBL6332541 
YPEMWWHAEVJGIS-UHFFFAOYSA-N 
MFCD27935902 
ZINC34238466 
AKOS026671130 
AK192158 
Benzoic acid, 3-amino-2,4-dichloro-, methyl ester 
Literature
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