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870889-07-9 | 1-Naphthalenecarbonitrile, 4-(2,5-dihydro-2,5-dimethyl-1H-pyrrol-1-yl)-
CAS No: 870889-07-9 Catalog No: AG004UWD MDL No:
Product Description
Catalog Number:
AG004UWD
Chemical Name:
1-Naphthalenecarbonitrile, 4-(2,5-dihydro-2,5-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
870889-07-9
Molecular Formula:
C17H16N2
Molecular Weight:
248.3223
IUPAC Name:
4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C17H16N2/c1-12-7-8-13(2)19(12)17-10-9-14(11-18)15-5-3-4-6-16(15)17/h3-10,12-13H,1-2H3
InChI Key:
SPESJSJVDJOMGR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)N1C(C)C=CC1C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.329g/mol
Monoisotopic Mass:
248.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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