Chemical ID: 3999121

CCOc1ccc(cc1)CCl
Chemical ID:
3999121
Name [?]:
1-(chloromethyl)-4-ethoxy-benzene
SMILES [?]:
CCOc1ccc(cc1)CCl
InChi [?]:
InChI=1/C9H11ClO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,5,9,10,7,4,11,3/E:(3,4)(5,6)/rA:11nCCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11ClO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.50558
Area:344.854
Solvation:-2.11578
Coulombic:-9.02271
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:170.636
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.82
LogP (Chemaxon):2.75

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Experimental Annotations

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Descriptor Annotations

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