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Home > Nitro Compounds > 175278-37-2
175278-37-2 | Pyrrolidine, 1-[(4-nitrophenyl)sulfonyl]-
CAS No: 175278-37-2 Catalog No: AG0020U8 MDL No:MFCD00277216
Product Description
Catalog Number:
AG0020U8
Chemical Name:
Pyrrolidine, 1-[(4-nitrophenyl)sulfonyl]-
CAS Number:
175278-37-2
Molecular Formula:
C10H12N2O4S
Molecular Weight:
256.2783
MDL Number:
MFCD00277216
IUPAC Name:
1-(4-nitrophenyl)sulfonylpyrrolidine
InChI:
InChI=1S/C10H12N2O4S/c13-12(14)9-3-5-10(6-4-9)17(15,16)11-7-1-2-8-11/h3-6H,1-2,7-8H2
InChI Key:
FFCUNTGOHGZCQO-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)[N+](=O)[O-])N1CCCC1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.276g/mol
Monoisotopic Mass:
256.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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