Chemical ID: 4121037

COc1ccc(c(c1F)F)C=O
Chemical ID:
4121037
Name [?]:
2,3-difluoro-4-methoxy-benzaldehyde
SMILES [?]:
COc1ccc(c(c1F)F)C=O
InChi [?]:
InChI=1/C8H6F2O2/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,11,6,3,7,8,10,9,12,2/rA:12nCOCCCCCCFFCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s6;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6F2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:1.23989
Area:304.584
Solvation:-6.37471
Coulombic:-19.348
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.129
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.95
LogP (Chemaxon):1.75

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Descriptor Annotations

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