Home Carboxys 5-[(tert-butoxy)carbonyl]-3-iodo-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid

5-[(tert-butoxy)carbonyl]-3-iodo-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid

CAS No.:
2031258-86-1
Catalog Number:
AG01B6KR
Molecular Formula:
C12H14INO4S
Molecular Weight:
395.2133
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Product Description
Catalog Number:
AG01B6KR
Chemical Name:
5-[(tert-butoxy)carbonyl]-3-iodo-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid
CAS Number:
2031258-86-1
Molecular Formula:
C12H14INO4S
Molecular Weight:
395.2133
MDL Number:
MFCD30344929
IUPAC Name:
3-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C12H14INO4S/c1-12(2,3)18-11(17)14-4-6-7(5-14)19-9(8(6)13)10(15)16/h4-5H2,1-3H3,(H,15,16)
InChI Key:
NLRVLFVQBZMMES-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)c(c(s2)C(=O)O)I)OC(C)(C)C
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.969g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
395.211g/mol
Monoisotopic Mass:
394.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties