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137275-54-8 | 1H-Indole-1-acetic acid, 6-(4-phenyl-2-pyrimidinyl)-, methyl ester
CAS No: 137275-54-8 Catalog No: AG00131Z MDL No:
Product Description
Catalog Number:
AG00131Z
Chemical Name:
1H-Indole-1-acetic acid, 6-(4-phenyl-2-pyrimidinyl)-, methyl ester
CAS Number:
137275-54-8
Molecular Formula:
C21H17N3O2
Molecular Weight:
343.3786
IUPAC Name:
methyl 2-[6-(4-phenylpyrimidin-2-yl)indol-1-yl]acetate
InChI:
InChI=1S/C21H17N3O2/c1-26-20(25)14-24-12-10-16-7-8-17(13-19(16)24)21-22-11-9-18(23-21)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChI Key:
CYQJEZDYYPLLQF-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1ccc2c1cc(cc2)c1nccc(n1)c1ccccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.386g/mol
Monoisotopic Mass:
343.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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