ChemDB: Chemical Search
Download
Chemical ID: 6681742
Chemical ID:
6681742
Name [?]:
9-bromophenanthrene
SMILES [?]:
c1ccc2c(c1)cc(c3c2cccc3)Br
InChi [?]:
InChI=1/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,3,11,14,7,5,4,10,9,8,15/rA:15nCCCCCCCCCCCCCCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Br |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31635 |
Area: | 363.566 |
Solvation: | -0.7728 |
Coulombic: | -3.82922 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 257.125 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.35 |
LogP (Chemaxon): | 4.84 |
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 |
---|