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Chemical ID: 7090124
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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