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203385-15-3 | 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6-dihydro-, ethyl ester
CAS No: 203385-15-3 Catalog No: AG0028UJ MDL No:MFCD00436345
Product Description
Catalog Number:
AG0028UJ
Chemical Name:
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6-dihydro-, ethyl ester
CAS Number:
203385-15-3
Molecular Formula:
C12H14ClNO3S
Molecular Weight:
287.7625
MDL Number:
MFCD00436345
IUPAC Name:
ethyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
InChI:
InChI=1S/C12H14ClNO3S/c1-2-17-12(16)10-7-4-3-5-8(7)18-11(10)14-9(15)6-13/h2-6H2,1H3,(H,14,15)
InChI Key:
ZUCFVJPQTDOHSC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(NC(=O)CCl)sc2c1CCC2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.758g/mol
Monoisotopic Mass:
287.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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