Chemical ID: 3964479

c1cc(c(cc1F)Br)C(=O)O
Chemical ID:
3964479
Name [?]:
2-bromo-4-fluoro-benzoic acid
SMILES [?]:
c1cc(c(cc1F)Br)C(=O)O
InChi [?]:
InChI=1/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,9,8,7,10,11/E:(10,11)/rA:11nCCCCCCFBrCOO/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:5.04767
Area:298.827
Solvation:-2.42301
Coulombic:-30.7571
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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Descriptor Annotations

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