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Home > Nitro Compounds > 833452-29-2
833452-29-2 | 2-Propynamide, N-[1-(3-nitro-2-pyridinyl)-3-azetidinyl]-3-phenyl-
CAS No: 833452-29-2 Catalog No: AG0055SP MDL No:
Product Description
Catalog Number:
AG0055SP
Chemical Name:
2-Propynamide, N-[1-(3-nitro-2-pyridinyl)-3-azetidinyl]-3-phenyl-
CAS Number:
833452-29-2
Molecular Formula:
C17H14N4O3
Molecular Weight:
322.3181
IUPAC Name:
N-[1-(3-nitropyridin-2-yl)azetidin-3-yl]-3-phenylprop-2-ynamide
InChI:
InChI=1S/C17H14N4O3/c22-16(9-8-13-5-2-1-3-6-13)19-14-11-20(12-14)17-15(21(23)24)7-4-10-18-17/h1-7,10,14H,11-12H2,(H,19,22)
InChI Key:
POZLUXSJIZIFEZ-UHFFFAOYSA-N
SMILES:
O=C(NC1CN(C1)c1ncccc1[N+](=O)[O-])C#Cc1ccccc1
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.107g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.324g/mol
Monoisotopic Mass:
322.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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