2-amino-4-chlorobenzoic acid
structural formula
| business number | 021b |
|---|---|
| molecular formula | c7h6clno2 |
| molecular weight | 171.58 |
| label |
4-chloro-2-aminobenzoic acid, 4-chloranthranilic acid, 4-chloroanthranilic acid, h2nc6h3(cl)co2h |
numbering system
cas number:89-77-0
mdl number:mfcd00007778
einecs number:201-938-5
rtecs number:dg1570000
brn number:743349
pubchem number:24846058
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 42.31
2. molar volume (cm3/mol): 116.1
3. isotonic specific volume (90.2k ): 331.1
4. surface tension (dyne/cm): 65.9
5. polarizability (10-24cm3): 16.77
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 1
5. number of tautomers: 4
6. topological molecule polar surface area 63.3
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 163
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
