Home Halogens 4-Amino-2,5-dichloro-benzoic acid methyl ester

4-Amino-2,5-dichloro-benzoic acid methyl ester

CAS No.:
1449239-00-2
Catalog Number:
AG00AT2R
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
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Product Description
Catalog Number:
AG00AT2R
Chemical Name:
4-Amino-2,5-dichloro-benzoic acid methyl ester
CAS Number:
1449239-00-2
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
MDL Number:
MFCD28722227
IUPAC Name:
methyl 4-amino-2,5-dichlorobenzoate
InChI:
InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3
InChI Key:
DEOJWNGHENFKPO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1Cl)N
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  
Properties