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Home > Nitro Compounds > 852411-45-1
852411-45-1 | 1-[4-(Methylsulfonyl)-2-nitrophenyl]pyrrolidine
CAS No: 852411-45-1 Catalog No: AG00G7LJ MDL No:
Product Description
Catalog Number:
AG00G7LJ
Chemical Name:
1-[4-(Methylsulfonyl)-2-nitrophenyl]pyrrolidine
CAS Number:
852411-45-1
IUPAC Name:
1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine
InChI:
InChI=1S/C11H14N2O4S/c1-18(16,17)9-4-5-10(11(8-9)13(14)15)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
MYFZWMNCXMXEFQ-UHFFFAOYSA-N
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.303g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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