Chemical ID: 5871994

COc1cccc(c1)CCl
Chemical ID:
5871994
Name [?]:
1-(chloromethyl)-3-methoxy-benzene
SMILES [?]:
COc1cccc(c1)CCl
InChi [?]:
InChI=1/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,8,9,7,3,10,2/rA:10nCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9ClO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.70735
Area:316.149
Solvation:-2.19637
Coulombic:-8.78378
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:156.609
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.4
LogP (Chemaxon):2.41

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Descriptor Annotations

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