Chemical ID: 7090124

Cc1ccc(cc1)COc2cccc(c2)Br
Chemical ID:
7090124
Name [?]:
1-[(3-bromophenoxy)methyl]-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)COc2cccc(c2)Br
InChi [?]:
InChI=1/C14H13BrO/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,3,7,4,6,15,8,2,5,14,10,16,9/E:(5,6)(7,8)/rA:16nCCCCCCCCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13BrO
All Atoms:29
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.49332
Area:423.682
Solvation:-2.09872
Coulombic:-10.2702
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.156
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.88
LogP (Chemaxon):4.83

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Descriptor Annotations

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