Chemical ID: 5170374

COC(=O)C#CBr
Chemical ID:
5170374
Name [?]:
methyl 3-bromoprop-2-ynoate
SMILES [?]:
COC(=O)C#CBr
InChi [?]:
InChI=1/C4H3BrO2/c1-7-4(6)2-3-5/h1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,3,7,4,2/rA:7nCOCOCCBr/rB:s1;s2;d3;s3;t5;s6;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C4H3BrO2
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:5.78702
Area:274.711
Solvation:-1.08075
Coulombic:-20.9627
Bond Count [?]
All:6
Single:4
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.969
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.48
LogP (Chemaxon):1.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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