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Chemical ID: 4788162
Chemical ID:
4788162
Name [?]:
2-(3,5-dichlorobenzoyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)c2cc(cc(c2)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C14H8Cl2O3/c15-9-5-8(6-10(16)7-9)13(17)11-3-1-2-4-12(11)14(18)19/h1-7H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,14,12,9,11,13,5,4,7,17,16,15,8,18,19/E:(5,6)(9,10)(15,16)(18,19)/rA:19nCCCCCCCOCCCCCCClClCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s13;s11;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8Cl2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96042 |
Area: | 461.771 |
Solvation: | -2.58386 |
Coulombic: | -37.9911 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.117 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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