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Chemical ID: 6532854
Chemical ID:
6532854
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)CBr
InChi [?]:
InChI=1/C15H9BrO3/c16-8-13(17)12-7-11-10-4-2-1-3-9(10)5-6-14(11)19-15(12)18/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,11,18,5,4,10,12,16,9,13,19,17,14,15/rA:19nCCCCCCCCCCCCCOOCOCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s12;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9BrO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.18485 |
Area: | 433.22 |
Solvation: | -4.64565 |
Coulombic: | -25.2513 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.134 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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