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Home > Nitro Compounds > 833452-32-7
833452-32-7 | 2-Propynamide, N-[(3R)-1-(3-nitro-2-pyridinyl)-3-pyrrolidinyl]-3-phenyl-
CAS No: 833452-32-7 Catalog No: AG004SRS MDL No:
Product Description
Catalog Number:
AG004SRS
Chemical Name:
2-Propynamide, N-[(3R)-1-(3-nitro-2-pyridinyl)-3-pyrrolidinyl]-3-phenyl-
CAS Number:
833452-32-7
Molecular Formula:
C18H16N4O3
Molecular Weight:
336.3446
IUPAC Name:
N-[(3R)-1-(3-nitropyridin-2-yl)pyrrolidin-3-yl]-3-phenylprop-2-ynamide
InChI:
InChI=1S/C18H16N4O3/c23-17(9-8-14-5-2-1-3-6-14)20-15-10-12-21(13-15)18-16(22(24)25)7-4-11-19-18/h1-7,11,15H,10,12-13H2,(H,20,23)/t15-/m1/s1
InChI Key:
ADWYRVYGKZBLKQ-OAHLLOKOSA-N
SMILES:
O=C(N[C@@H]1CCN(C1)c1ncccc1[N+](=O)[O-])C#Cc1ccccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.351g/mol
Monoisotopic Mass:
336.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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