Chemical ID: 4513366

CCOC(=O)c1cnc(s1)Br
Chemical ID:
4513366
Name [?]:
ethyl 2-bromothiazole-5-carboxylate
SMILES [?]:
CCOC(=O)c1cnc(s1)Br
InChi [?]:
InChI=1/C6H6BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,4,9,11,8,5,3,10/rA:11nCCOCOCCNCSBr/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6BrNO2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.35739
Area:352.564
Solvation:-1.45673
Coulombic:-25.4574
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:236.087
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.97
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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