Chemical ID: 5054714

c1ccc2c(c1)ccc(n2)CCl
Chemical ID:
5054714
Name [?]:
2-(chloromethyl)quinoline
SMILES [?]:
c1ccc2c(c1)ccc(n2)CCl
InChi [?]:
InChI=1/C10H8ClN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,11,5,9,4,12,10/rA:12nCCCCCCCCCNCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8ClN
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.9883
Area:336.825
Solvation:-1.43233
Coulombic:-7.06797
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.63
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.68
LogP (Chemaxon):2.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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