ChemDB: Chemical Search
Download
Chemical ID: 5175328
Chemical ID:
5175328
Name [?]:
5,7-dibromo-6-hydroxy-chroman-2-one
SMILES [?]:
c1c2c(c(c(c1Br)O)Br)CCC(=O)O2
InChi [?]:
InChI=1/C9H6Br2O3/c10-5-3-6-4(8(11)9(5)13)1-2-7(12)14-6/h3,13H,1-2H2
InChi Info:
AuxInfo=1/0/N:10,11,1,3,6,2,12,4,5,7,9,13,8,14/rA:14nCCCCCCBrOBrCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s10;s11;d12;s2s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6Br2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.03583 |
Area: | 361.409 |
Solvation: | -2.9994 |
Coulombic: | -31.9806 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 321.95 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.04 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|