Chemical ID: 4119470

c1cc(c(cc1Br)F)C(=O)O
Chemical ID:
4119470
Name [?]:
4-bromo-2-fluoro-benzoic acid
SMILES [?]:
c1cc(c(cc1Br)F)C(=O)O
InChi [?]:
InChI=1/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,9,7,8,10,11/E:(10,11)/rA:11nCCCCCCBrFCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4BrFO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.02686
Area:306.421
Solvation:-2.63367
Coulombic:-30.5417
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:219.008
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.6
LogP (Chemaxon):2.49

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