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300676-39-5 | 2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclo-penta[b]thiophene-3-carboxylic acid methyl ester
CAS No: 300676-39-5 Catalog No: AG00I5M1 MDL No:MFCD01918290
Product Description
Catalog Number:
AG00I5M1
Chemical Name:
2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclo-penta[b]thiophene-3-carboxylic acid methyl ester
CAS Number:
300676-39-5
Molecular Formula:
C11H12ClNO3S
Molecular Weight:
273.7359
MDL Number:
MFCD01918290
IUPAC Name:
methyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
InChI:
InChI=1S/C11H12ClNO3S/c1-16-11(15)9-6-3-2-4-7(6)17-10(9)13-8(14)5-12/h2-5H2,1H3,(H,13,14)
InChI Key:
NGXDJCBKQZVJSY-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1sc2c(c1C(=O)OC)CCC2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.731g/mol
Monoisotopic Mass:
273.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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