Chemical ID: 4120123

COc1ccc(c(c1)F)Br
Chemical ID:
4120123
Name [?]:
1-bromo-2-fluoro-4-methoxy-benzene
SMILES [?]:
COc1ccc(c(c1)F)Br
InChi [?]:
InChI=1/C7H6BrFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,8,3,6,7,10,9,2/rA:10nCOCCCCCCFBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6BrFO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.74193
Area:292.665
Solvation:-2.5747
Coulombic:-11.2161
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:205.024
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.9
LogP (Chemaxon):2.73

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Experimental Annotations

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Descriptor Annotations

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