Chemical ID: 4119286

COc1ccc(cc1Br)F
Chemical ID:
4119286
Name [?]:
2-bromo-4-fluoro-1-methoxy-benzene
SMILES [?]:
COc1ccc(cc1Br)F
InChi [?]:
InChI=1/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,6,8,3,9,10,2/rA:10nCOCCCCCCBrF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6BrFO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.51194
Area:290.645
Solvation:-2.75418
Coulombic:-11.0241
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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