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191103-80-7 | 1H-Imidazole-4-carboxylic acid, 1-(triphenylmethyl)-
CAS No: 191103-80-7 Catalog No: AG002F27 MDL No:MFCD06203351
Product Description
Catalog Number:
AG002F27
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-(triphenylmethyl)-
CAS Number:
191103-80-7
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
MDL Number:
MFCD06203351
IUPAC Name:
1-tritylimidazole-4-carboxylic acid
InChI:
InChI=1S/C23H18N2O2/c26-22(27)21-16-25(17-24-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,26,27)
InChI Key:
UQQHMXJCLHSYRV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.409g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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