Chemical ID: 4991545

COc1ccc(cc1)OCCCBr
Chemical ID:
4991545
Name [?]:
1-(3-bromopropoxy)-4-methoxy-benzene
SMILES [?]:
COc1ccc(cc1)OCCCBr
InChi [?]:
InChI=1/C10H13BrO2/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,4,8,5,7,12,10,3,6,13,2,9/E:(3,4)(5,6)/rA:13nCOCCCCCCOCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13BrO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.25806
Area:384.588
Solvation:-3.35663
Coulombic:-15.1299
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:245.113
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.31
LogP (Chemaxon):2.36

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Descriptor Annotations

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