Home Halogens methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate, sulfuric acid

methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate, sulfuric acid

CAS No.:
2137493-39-9
Catalog Number:
AG01DW85
Molecular Formula:
C16H18ClNO6S2
Molecular Weight:
419.9002
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Product Description
Catalog Number:
AG01DW85
Chemical Name:
methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate, sulfuric acid
CAS Number:
2137493-39-9
Molecular Formula:
C16H18ClNO6S2
Molecular Weight:
419.9002
MDL Number:
MFCD27967154
IUPAC Name:
methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate;sulfuric acid
InChI:
InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)
InChI Key:
HOBRAVZUNXGOIX-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)scc2
Properties
Complexity:
463  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.026g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
419.891g/mol
Monoisotopic Mass:
419.026g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties