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Chemical ID: 5184291
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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