Chemical ID: 4280084

CC(C)(C)c1ccccc1OCCCBr
Chemical ID:
4280084
Name [?]:
1-(3-bromopropoxy)-2-tert-butyl-benzene
SMILES [?]:
CC(C)(C)c1ccccc1OCCCBr
InChi [?]:
InChI=1/C13H19BrO/c1-13(2,3)11-7-4-5-8-12(11)15-10-6-9-14/h4-5,7-8H,6,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,13,6,9,14,12,5,10,2,15,11/E:(1,2,3)/rA:15nCCCCCCCCCCOCCCBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19BrO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.63968
Area:416.523
Solvation:-1.7734
Coulombic:-9.91925
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.193
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.0
LogP (Chemaxon):4.24

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