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Chemical ID: 4953470
Chemical ID:
4953470
Name [?]:
1-[(2-bromophenyl)methoxy]-2-methyl-benzene
SMILES [?]:
Cc1ccccc1OCc2ccccc2Br
InChi [?]:
InChI=1/C14H13BrO/c1-11-6-2-5-9-14(11)16-10-12-7-3-4-8-13(12)15/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,12,13,5,3,11,14,6,9,2,10,15,7,16,8/rA:16nCCCCCCCOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13BrO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65289 |
Area: | 410.731 |
Solvation: | -1.61538 |
Coulombic: | -11.0449 |
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: | 4.67 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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