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Chemical ID: 6182575
Chemical ID:
6182575
Name [?]:
(2-formylphenyl) 2-bromobenzoate
SMILES [?]:
c1ccc(c(c1)C=O)OC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C14H9BrO3/c15-12-7-3-2-6-11(12)14(17)18-13-8-4-1-5-10(13)9-16/h1-9H
InChi Info:
AuxInfo=1/0/N:1,14,15,2,6,13,16,3,7,5,12,17,4,10,18,8,11,9/rA:18nCCCCCCCOOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9BrO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53658 |
Area: | 430.8 |
Solvation: | -2.23342 |
Coulombic: | -29.3771 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.123 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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