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
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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