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1171924-34-7 | 2-[2-(5-Iodo-thiophen-2-yl)-ethyl]-6-methoxy-benzoic acid methyl ester
CAS No: 1171924-34-7 Catalog No: AG00JS4V MDL No:MFCD12546780
Product Description
Catalog Number:
AG00JS4V
Chemical Name:
2-[2-(5-Iodo-thiophen-2-yl)-ethyl]-6-methoxy-benzoic acid methyl ester
CAS Number:
1171924-34-7
Molecular Formula:
C15H15IO3S
Molecular Weight:
402.2473
MDL Number:
MFCD12546780
IUPAC Name:
methyl 2-[2-(5-iodothiophen-2-yl)ethyl]-6-methoxybenzoate
InChI:
InChI=1S/C15H15IO3S/c1-18-12-5-3-4-10(14(12)15(17)19-2)6-7-11-8-9-13(16)20-11/h3-5,8-9H,6-7H2,1-2H3
InChI Key:
UYOSPULCCMRPAS-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cccc1OC)CCc1ccc(s1)I
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.979g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.246g/mol
Monoisotopic Mass:
401.979g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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