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20776-60-7 | Benzoic acid, 6-amino-2,3-dichloro-
CAS No: 20776-60-7 Catalog No: AG002J9G MDL No:MFCD03618450
Product Description
Catalog Number:
AG002J9G
Chemical Name:
Benzoic acid, 6-amino-2,3-dichloro-
CAS Number:
20776-60-7
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
MDL Number:
MFCD03618450
IUPAC Name:
6-amino-2,3-dichlorobenzoic acid
InChI:
InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:
SRTBBLNAKMLZTN-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)ccc(c1Cl)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.022g/mol
Monoisotopic Mass:
204.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole. | Acta crystallographica. Section C, Crystal structure communications 20010401 |
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