Chemical ID: 4120146

COc1ccc(c(c1)C=O)Br
Chemical ID:
4120146
Name [?]:
2-bromo-5-methoxy-benzaldehyde
SMILES [?]:
COc1ccc(c(c1)C=O)Br
InChi [?]:
InChI=1/C8H7BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,8,9,7,3,6,11,10,2/rA:11nCOCCCCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7BrO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.45626
Area:314.658
Solvation:-3.41018
Coulombic:-13.8072
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:215.044
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.43
LogP (Chemaxon):2.26

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Descriptor Annotations

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