3-Amino-2,4-dichlorobenzoic acid - CAS 50917-28-7
Catalog: |
BB075011 |
Product Name: |
3-Amino-2,4-dichlorobenzoic acid |
CAS: |
50917-28-7 |
Synonyms: |
3-Amino-2,4-dichlorobenzoic acid; 3-Amino-2,4-dichlorobenzoicacid; 3-Amino-2,4-dichloro-benzoic acid |
IUPAC Name: | 3-amino-2,4-dichlorobenzoic acid |
Molecular Weight: | 206.03 |
Molecular Formula: | C7H5Cl2NO2 |
Canonical SMILES: | C1=CC(=C(C(=C1C(=O)O)Cl)N)Cl |
InChI: | InChI=1S/C7H5Cl2NO2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,10H2,(H,11,12) |
InChI Key: | MWIWETSWQFRAPN-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9697338 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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