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1016789-41-5 | Benzonitrile, 3-(1-piperidinylsulfonyl)-
CAS No: 1016789-41-5 Catalog No: AG00056X MDL No:
Product Description
Catalog Number:
AG00056X
Chemical Name:
Benzonitrile, 3-(1-piperidinylsulfonyl)-
CAS Number:
1016789-41-5
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
3-piperidin-1-ylsulfonylbenzonitrile
InChI:
InChI=1S/C12H14N2O2S/c13-10-11-5-4-6-12(9-11)17(15,16)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2
InChI Key:
ZSWKMVYBMFNEQN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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