Chemical ID: 4116876

c1cc(ccc1CCC(=O)O)Br
Chemical ID:
4116876
Name [?]:
3-(4-bromophenyl)propanoic acid
SMILES [?]:
c1cc(ccc1CCC(=O)O)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H9BrO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.13951
Area:354.552
Solvation:-1.7243
Coulombic:-27.1435
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.071
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.42
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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