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Home > Indoles and Oxindole > 893738-22-2
893738-22-2 | 5-(5-Pyrimidinyl)indoline
CAS No: 893738-22-2 Catalog No: AG01EYP4 MDL No:
Product Description
Catalog Number:
AG01EYP4
Chemical Name:
5-(5-Pyrimidinyl)indoline
CAS Number:
893738-22-2
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
IUPAC Name:
5-pyrimidin-5-yl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C12H11N3/c1-2-12-10(3-4-15-12)5-9(1)11-6-13-8-14-7-11/h1-2,5-8,15H,3-4H2
InChI Key:
XUKJPQWAXHELBY-UHFFFAOYSA-N
SMILES:
c1ncc(cn1)c1ccc2c(c1)CCN2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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