Chemical ID: 5184291

CCCCCOc1ccccc1Cl
Chemical ID:
5184291
Name [?]:
1-chloro-2-pentoxy-benzene
SMILES [?]:
CCCCCOc1ccccc1Cl
InChi [?]:
InChI=1/C11H15ClO/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h4-5,7-8H,2-3,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,9,4,11,8,5,12,7,13,6/rA:13nCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15ClO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.08359
Area:396.386
Solvation:-1.82606
Coulombic:-10.4465
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:198.689
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.48
LogP (Chemaxon):3.92

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Descriptor Annotations

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