Chemical ID: 6641109

c1ccc(cc1)c2ccc(cc2)OCCBr
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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Descriptor Annotations

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