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1240949-41-0 | 1H-Pyrrole-3-carbonitrile, 5-(2-naphthalenyl)-
CAS No: 1240949-41-0 Catalog No: AG000LJU MDL No:
Product Description
Catalog Number:
AG000LJU
Chemical Name:
1H-Pyrrole-3-carbonitrile, 5-(2-naphthalenyl)-
CAS Number:
1240949-41-0
Molecular Formula:
C15H10N2
Molecular Weight:
218.2533
IUPAC Name:
5-naphthalen-2-yl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C15H10N2/c16-9-11-7-15(17-10-11)14-6-5-12-3-1-2-4-13(12)8-14/h1-8,10,17H
InChI Key:
FAHSPDGECUUIPO-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(c1)c1ccc2c(c1)cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.259g/mol
Monoisotopic Mass:
218.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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