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6439-91-4 | Ethyl 5-bromo-1,2,3-thiadiazole-4-carboxylate
CAS No: 6439-91-4 Catalog No: AG003MFF MDL No:MFCD02324685
Product Description
Catalog Number:
AG003MFF
Chemical Name:
Ethyl 5-bromo-1,2,3-thiadiazole-4-carboxylate
CAS Number:
6439-91-4
Molecular Formula:
C5H5BrN2O2S
Molecular Weight:
237.0744
MDL Number:
MFCD02324685
IUPAC Name:
ethyl 5-bromothiadiazole-4-carboxylate
InChI:
InChI=1S/C5H5BrN2O2S/c1-2-10-5(9)3-4(6)11-8-7-3/h2H2,1H3
InChI Key:
MBEUYMRLYKXBGT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnsc1Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.926g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.071g/mol
Monoisotopic Mass:
235.926g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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