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1003740-90-6 | Benzonitrile, 3-(1-pyrrolidinylsulfonyl)-
CAS No: 1003740-90-6 Catalog No: AG0001T2 MDL No:
Product Description
Catalog Number:
AG0001T2
Chemical Name:
Benzonitrile, 3-(1-pyrrolidinylsulfonyl)-
CAS Number:
1003740-90-6
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
IUPAC Name:
3-pyrrolidin-1-ylsulfonylbenzonitrile
InChI:
InChI=1S/C11H12N2O2S/c12-9-10-4-3-5-11(8-10)16(14,15)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2
InChI Key:
BASQEQQOGLYRSJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)N1CCCC1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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