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Chemical ID: 6471291
Chemical ID:
6471291
Name [?]:
(4-chlorophenyl) butanoate
SMILES [?]:
CCCC(=O)Oc1ccc(cc1)Cl
InChi [?]:
InChI=1/C10H11ClO2/c1-2-3-10(12)13-9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,9,11,8,12,10,7,4,13,5,6/E:(4,5)(6,7)/rA:13nCCCCOOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02132 |
Area: | 381.843 |
Solvation: | -1.52474 |
Coulombic: | -19.4661 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.646 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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