Home Halogens Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate

Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate

CAS No.:
1105187-36-7
Catalog Number:
AG008U3G
Molecular Formula:
C8H6BrNO2S
Molecular Weight:
260.1077
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Product Description
Catalog Number:
AG008U3G
Chemical Name:
Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
CAS Number:
1105187-36-7
Molecular Formula:
C8H6BrNO2S
Molecular Weight:
260.1077
MDL Number:
MFCD11973824
IUPAC Name:
methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
InChI:
InChI=1S/C8H6BrNO2S/c1-12-8(11)5-2-6-7(10-5)4(9)3-13-6/h2-3,10H,1H3
InChI Key:
FZMSYEZKZFUHPQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)c(cs2)Br
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.93g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.105g/mol
Monoisotopic Mass:
258.93g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties