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1365272-35-0 | [1,1'-Biphenyl]-2-carbonitrile, 4'-(1-piperidinylcarbonyl)-
CAS No: 1365272-35-0 Catalog No: AG00120G MDL No:MFCD21609618
Product Description
Catalog Number:
AG00120G
Chemical Name:
[1,1'-Biphenyl]-2-carbonitrile, 4'-(1-piperidinylcarbonyl)-
CAS Number:
1365272-35-0
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
MDL Number:
MFCD21609618
IUPAC Name:
2-[4-(piperidine-1-carbonyl)phenyl]benzonitrile
InChI:
InChI=1S/C19H18N2O/c20-14-17-6-2-3-7-18(17)15-8-10-16(11-9-15)19(22)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2
InChI Key:
MNHQVANVDAWQCI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(cc1)C(=O)N1CCCCC1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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