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870889-01-3 | Pyrrolidine, 1-[4-(methylsulfonyl)-1-naphthalenyl]-
CAS No: 870889-01-3 Catalog No: AG004LKM MDL No:
Product Description
Catalog Number:
AG004LKM
Chemical Name:
Pyrrolidine, 1-[4-(methylsulfonyl)-1-naphthalenyl]-
CAS Number:
870889-01-3
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
IUPAC Name:
1-(4-methylsulfonylnaphthalen-1-yl)pyrrolidine
InChI:
InChI=1S/C15H17NO2S/c1-19(17,18)15-9-8-14(16-10-4-5-11-16)12-6-2-3-7-13(12)15/h2-3,6-9H,4-5,10-11H2,1H3
InChI Key:
GZPPMQQVXNAHOJ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc(c2c1cccc2)N1CCCC1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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