Chemical ID: 5368665

c1c(c(cs1)Br)C(=O)O
Chemical ID:
5368665
Name [?]:
4-bromothiophene-3-carboxylic acid
SMILES [?]:
c1c(c(cs1)Br)C(=O)O
InChi [?]:
InChI=1/C5H3BrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,7,6,8,9,5/E:(7,8)/rA:9nCCCCSBrCOO/rB:d1;s2;d3;s1s4;s3;s2;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H3BrO2S
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.68308
Area:289.125
Solvation:-1.54505
Coulombic:-27.4367
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.046
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.71
LogP (Chemaxon):2.02

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Experimental Annotations

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Descriptor Annotations

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