chempirical

Chloramben

C7H5Cl2NO2CAS 133-90-4206.02 g/mol

Open in Covalent MOL file
NH2ClOOHCl
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H5Cl2NO2
Molar mass
206.02 g/mol
Exact mass
204.9697 Da
Melting point
200–201 °C
Boiling point
312 °C
logP
2.27Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
133-90-4
SMILES
Nc1cc(Cl)cc(C(=O)O)c1Cl
InChIKey
HSSBORCLYSCBJR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzoic acid, 3-amino-2,5-dichloro-
  • 3-Amino-2,5-dichlorobenzoic acid
  • Ambiben
  • Amibin
  • Amoben
  • Amiben
  • 2,5-Dichloro-3-aminobenzoic acid
  • Vegiben

Work with Chloramben

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5-Trichlorobenzoic acid50-73-765 % similar 2-Amino-4-chlorobenzoic acid89-77-065 % similar 2-Amino-5-chlorobenzoic acid635-21-263 % similar Aminopyralid150114-71-954 % similar 2-Amino-5-chloro-3-methylbenzoic acid20776-67-454 % similar 2,5-Dichloro-3-nitrobenzoic acid88-86-854 % similar 3,5-Dichlorosalicylic acid320-72-950 % similar 2,3,4,5-Tetrachlorobenzoic acid50-74-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-6-methoxyisonicotinoyl chloride116853-97-5 3,5-Dichloroanthranilic acid2789-92-6 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 Methyl 2,6-dichloroisonicotinate42521-09-5 4-Amino-3,5-dichlorobenzoic acid56961-25-2

Elsewhere

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