Chemical ID: 6682501

CCCCOc1ccc(cc1)C(=O)Cl
Chemical ID:
6682501
Name [?]:
4-butoxybenzoyl chloride
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Cl
InChi [?]:
InChI=1/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,7,11,4,9,6,12,14,13,5/E:(4,5)(6,7)/rA:14nCCCCOCCCCCCCOCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13ClO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.79484
Area:405.897
Solvation:-2.35258
Coulombic:-19.0004
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:212.672
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.52
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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