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365543-00-6 | 2-[2-(5-Iodo-thiophen-2-yl)-vinyl]-6-methoxy-benzoic acid methyl ester
CAS No: 365543-00-6 Catalog No: AG00JS7X MDL No:
Product Description
Catalog Number:
AG00JS7X
Chemical Name:
2-[2-(5-Iodo-thiophen-2-yl)-vinyl]-6-methoxy-benzoic acid methyl ester
CAS Number:
365543-00-6
Molecular Formula:
C15H13IO3S
Molecular Weight:
400.2314
IUPAC Name:
methyl 2-[(E)-2-(5-iodothiophen-2-yl)ethenyl]-6-methoxybenzoate
InChI:
InChI=1S/C15H13IO3S/c1-18-12-5-3-4-10(14(12)15(17)19-2)6-7-11-8-9-13(16)20-11/h3-9H,1-2H3/b7-6+
InChI Key:
MWOHSNLENCPRCA-VOTSOKGWSA-N
SMILES:
COC(=O)c1c(cccc1OC)/C=C/c1ccc(s1)I
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
399.963g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.23g/mol
Monoisotopic Mass:
399.963g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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