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144104-51-8 | 1H-Indole, 5-(5-pyrimidinyl)-
CAS No: 144104-51-8 Catalog No: AG001IXL MDL No:
Product Description
Catalog Number:
AG001IXL
Chemical Name:
1H-Indole, 5-(5-pyrimidinyl)-
CAS Number:
144104-51-8
Molecular Formula:
C12H9N3
Molecular Weight:
195.2200
IUPAC Name:
5-pyrimidin-5-yl-1H-indole
InChI:
InChI=1S/C12H9N3/c1-2-12-10(3-4-15-12)5-9(1)11-6-13-8-14-7-11/h1-8,15H
InChI Key:
JCYXZFZCAIZEHZ-UHFFFAOYSA-N
SMILES:
c1ncc(cn1)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.225g/mol
Monoisotopic Mass:
195.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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