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