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262267-30-1 | Benzoic acid, 4-(di-1H-pyrrol-2-ylmethyl)-, 2-(trimethylsilyl)ethyl ester
CAS No: 262267-30-1 Catalog No: AG002SBT MDL No:
Product Description
Catalog Number:
AG002SBT
Chemical Name:
Benzoic acid, 4-(di-1H-pyrrol-2-ylmethyl)-, 2-(trimethylsilyl)ethyl ester
CAS Number:
262267-30-1
Molecular Formula:
C21H26N2O2Si
Molecular Weight:
366.5288
IUPAC Name:
2-trimethylsilylethyl 4-[bis(1H-pyrrol-2-yl)methyl]benzoate
InChI:
InChI=1S/C21H26N2O2Si/c1-26(2,3)15-14-25-21(24)17-10-8-16(9-11-17)20(18-6-4-12-22-18)19-7-5-13-23-19/h4-13,20,22-23H,14-15H2,1-3H3
InChI Key:
MQPNMTSOYQAZFO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1)OCC[Si](C)(C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.536g/mol
Monoisotopic Mass:
366.176g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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