Methyl 4-chloroanthranilate
PubChem CID: 80001
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| Compound Synonyms | Methyl 2-amino-4-chlorobenzoate, 5900-58-3, Methyl 4-chloroanthranilate, MFCD00017568, Benzoic acid, 2-amino-4-chloro-, methyl ester, 2-amino-4-chlorobenzoic acid methyl ester, 2-amino-4-chloro-benzoic acid methyl ester, EINECS 227-593-0, CHEMBL1234477, DTXSID90207743, 4-chloroanthranilic acid methyl ester, NSC 400871, NSC-400871, Methyl2-amino-4-chlorobenzoate, 3ms9, BWN3H69QRA, methyl 4-chloro-anthranilate, SCHEMBL771687, methyl 2-amino4-chlorobenzoate, methyl-2-amino-4-chlorobenzoate, DTXCID40130234, 2-Methoxycarbonyl-5-chloroaniline, Methyl 2-amino-4-chlorobenzoate #, STR02665, BDBM50459087, NSC400871, AKOS000120830, CS-W008083, AC-14812, SY006269, DB-011582, NS00034060, EN300-16129, Q27463522, Z53833897, Methyl 2-amino-4-chlorobenzoate, >=98.0% (HPLC/NT), 227-593-0, MS9 |
|---|---|
| Topological Polar Surface Area | 52.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-amino-4-chlorobenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C8H8ClNO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPSSCICDVDOEAI-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -5.662 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.702 |
| Compound Name | Methyl 4-chloroanthranilate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 185.024 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 185.024 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 185.61 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.307782 |
| Inchi | InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3 |
| Smiles | COC(=O)C1=C(C=C(C=C1)Cl)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients