2-Amino-3,5-dibromobenzaldehyde
PubChem CID: 688305
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| Compound Synonyms | 2-Amino-3,5-dibromobenzaldehyde, 50910-55-9, 2-amino-3,5-dibromo-benzaldehyde, 3,5-Dibromoanthranilaldehyde, 3,5-DIBROMO-2-AMINOBENZALDEHYDE, Benzaldehyde, 2-amino-3,5-dibromo-, MFCD00671100, EINECS 256-841-0, DTXSID70198943, EC 256-841-0, SCHEMBL285148, DTXCID30121434, BCP06911, STL450950, AKOS015854696, FA14503, 2-Amino-3,5-dibromobenzaldehyde, 97%, AC-10733, AC-31356, AS-12042, BP-12420, PD055781, SY038949, DB-020382, HY-107849, CS-0030731, D2625, NS00001499, EN300-136846, F12175, Z1269136164, InChI=1/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H, 256-841-0 |
|---|---|
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3,5-dibromobenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C7H5Br2NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCPAZWISSAVDEA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.666 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.4 |
| Compound Name | 2-Amino-3,5-dibromobenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.872 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.874 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 278.93 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.570208563636364 |
| Inchi | InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2 |
| Smiles | C1=C(C=C(C(=C1C=O)N)Br)Br |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients