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Chemical ID: 6641109
Chemical ID:
6641109
Name [?]:
1-(2-bromoethoxy)-4-phenyl-benzene
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OCCBr
InChi [?]:
InChI=1/C14H13BrO/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,15,14,4,7,10,16,13/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCCCCCCOCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13BrO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05631 |
Area: | 421.995 |
Solvation: | -2.49358 |
Coulombic: | -10.1382 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.156 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.98 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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