Chemical ID: 6672903

COc1cc(ccc1OCc2ccccc2)Br
Chemical ID:
6672903
Name [?]:
1-benzyloxy-4-bromo-2-methoxy-benzene
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)Br
InChi [?]:
InChI=1/C14H13BrO2/c1-16-14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,6,7,4,10,11,5,8,3,17,2,9/E:(3,4)(5,6)/rA:17nCOCCCCCCOCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13BrO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.67009
Area:436.931
Solvation:-4.25319
Coulombic:-16.4632
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:293.156
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.09
LogP (Chemaxon):4.11

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Descriptor Annotations

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