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Home > Imidazoles > 365542-38-7
365542-38-7 | 2-Methoxy-6-[2-(1-trityl-1H-imidazol-2-yl)-vinyl]-benzoic acid ethyl ester
CAS No: 365542-38-7 Catalog No: AG00JS5T MDL No:MFCD12546814
Product Description
Catalog Number:
AG00JS5T
Chemical Name:
2-Methoxy-6-[2-(1-trityl-1H-imidazol-2-yl)-vinyl]-benzoic acid ethyl ester
CAS Number:
365542-38-7
Molecular Formula:
C34H30N2O3
Molecular Weight:
514.6136
MDL Number:
MFCD12546814
IUPAC Name:
ethyl 2-methoxy-6-[(E)-2-(1-tritylimidazol-2-yl)ethenyl]benzoate
InChI:
InChI=1S/C34H30N2O3/c1-3-39-33(37)32-26(14-13-21-30(32)38-2)22-23-31-35-24-25-36(31)34(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-25H,3H2,1-2H3/b23-22+
InChI Key:
CRTUEHUFNDBEER-GHVJWSGMSA-N
SMILES:
CCOC(=O)c1c(cccc1OC)/C=C/c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
514.226g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.625g/mol
Monoisotopic Mass:
514.226g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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