Home Halogens propyl 5-bromothiophene-3-carboxylate

propyl 5-bromothiophene-3-carboxylate

CAS No.:
1478954-26-5
Catalog Number:
AG01BBS7
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
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Product Description
Catalog Number:
AG01BBS7
Chemical Name:
propyl 5-bromothiophene-3-carboxylate
CAS Number:
1478954-26-5
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
MDL Number:
MFCD23715669
IUPAC Name:
propyl 5-bromothiophene-3-carboxylate
InChI:
InChI=1S/C8H9BrO2S/c1-2-3-11-8(10)6-4-7(9)12-5-6/h4-5H,2-3H2,1H3
InChI Key:
SIYNZVWMKOAUBO-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1csc(c1)Br
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.951g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.122g/mol
Monoisotopic Mass:
247.951g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties