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20957-01-1 | 1H-Perimidine, 2-(3-pyridinyl)-
CAS No: 20957-01-1 Catalog No: AG002KAW MDL No:
Product Description
Catalog Number:
AG002KAW
Chemical Name:
1H-Perimidine, 2-(3-pyridinyl)-
CAS Number:
20957-01-1
Molecular Formula:
C16H11N3
Molecular Weight:
245.2786
IUPAC Name:
2-pyridin-3-yl-1H-perimidine
InChI:
InChI=1S/C16H11N3/c1-4-11-5-2-8-14-15(11)13(7-1)18-16(19-14)12-6-3-9-17-10-12/h1-10H,(H,18,19)
InChI Key:
ACFRTFYYBDSPJZ-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)c1nc2cccc3c2c([nH]1)ccc3
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.285g/mol
Monoisotopic Mass:
245.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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