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Home > Nitro Compounds > 866915-48-2
866915-48-2 | Pyrrolidine, 2-ethenyl-1-(2-nitrobenzoyl)-, (2S)-
CAS No: 866915-48-2 Catalog No: AG004TCK MDL No:
Product Description
Catalog Number:
AG004TCK
Chemical Name:
Pyrrolidine, 2-ethenyl-1-(2-nitrobenzoyl)-, (2S)-
CAS Number:
866915-48-2
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
[(2S)-2-ethenylpyrrolidin-1-yl]-(2-nitrophenyl)methanone
InChI:
InChI=1S/C13H14N2O3/c1-2-10-6-5-9-14(10)13(16)11-7-3-4-8-12(11)15(17)18/h2-4,7-8,10H,1,5-6,9H2/t10-/m1/s1
InChI Key:
UXLYZYMGHXIAFY-SNVBAGLBSA-N
SMILES:
C=C[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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