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Home > Nitro Compounds > 873325-68-9
873325-68-9 | Pyrrolidine, 2-(methoxymethyl)-1-(4-nitrophenyl)-, (2S)-
CAS No: 873325-68-9 Catalog No: AG004HOC MDL No:
Product Description
Catalog Number:
AG004HOC
Chemical Name:
Pyrrolidine, 2-(methoxymethyl)-1-(4-nitrophenyl)-, (2S)-
CAS Number:
873325-68-9
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
(2S)-2-(methoxymethyl)-1-(4-nitrophenyl)pyrrolidine
InChI:
InChI=1S/C12H16N2O3/c1-17-9-12-3-2-8-13(12)10-4-6-11(7-5-10)14(15)16/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
InChI Key:
FAHCILRGFKDZNU-LBPRGKRZSA-N
SMILES:
COC[C@@H]1CCCN1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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