Chemical ID: 5134814

c1cc(c(cc1Br)CC(=O)O)Br
Chemical ID:
5134814
Name [?]:
2-(2,5-dibromophenyl)acetic acid
SMILES [?]:
c1cc(c(cc1Br)CC(=O)O)Br
InChi [?]:
InChI=1/C8H6Br2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,8,4,6,3,9,7,12,10,11/E:(11,12)/rA:12nCCCCCCBrCCOOBr/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6Br2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.85561
Area:347.506
Solvation:-1.83205
Coulombic:-26.6034
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:293.94
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.05
LogP (Chemaxon):3.26

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Descriptor Annotations

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