Home Halogens methyl 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate

methyl 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate

CAS No.:
403860-10-6
Catalog Number:
AG019Q6V
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
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Product Description
Catalog Number:
AG019Q6V
Chemical Name:
methyl 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate
CAS Number:
403860-10-6
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
MDL Number:
MFCD18837597
IUPAC Name:
methyl 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate
InChI:
InChI=1S/C8H6ClNO2S/c1-12-8(11)5-2-4-3-6(9)13-7(4)10-5/h2-3,10H,1H3
InChI Key:
PUVPNBQYYYYQCY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)sc(c2)Cl
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.981g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.651g/mol
Monoisotopic Mass:
214.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties