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1365272-34-9 | [1,1'-Biphenyl]-2-carbonitrile, 3'-(1-pyrrolidinylcarbonyl)-
CAS No: 1365272-34-9 Catalog No: AG00120H MDL No:MFCD21609620
Product Description
Catalog Number:
AG00120H
Chemical Name:
[1,1'-Biphenyl]-2-carbonitrile, 3'-(1-pyrrolidinylcarbonyl)-
CAS Number:
1365272-34-9
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD21609620
IUPAC Name:
2-[3-(pyrrolidine-1-carbonyl)phenyl]benzonitrile
InChI:
InChI=1S/C18H16N2O/c19-13-16-6-1-2-9-17(16)14-7-5-8-15(12-14)18(21)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2
InChI Key:
QWIJCHCIPGVNMX-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1cccc(c1)C(=O)N1CCCC1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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