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139428-48-1

139428-48-1 | 1H-Pyrrole-1-propanamide, N-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl]-2,5-dihydro-2,5-dioxo-

CAS No: 139428-48-1 Catalog No: AG001B0L MDL No:

Product Description

Catalog Number:
AG001B0L
Chemical Name:
1H-Pyrrole-1-propanamide, N-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl]-2,5-dihydro-2,5-dioxo-
CAS Number:
139428-48-1
Molecular Formula:
C14H9F4N5O3
Molecular Weight:
371.2466
IUPAC Name:
N-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
InChI:
InChI=1S/C14H9F4N5O3/c15-10-6(11(16)13(18)14(12(10)17)21-22-19)5-20-7(24)3-4-23-8(25)1-2-9(23)26/h1-2H,3-5H2,(H,20,24)
InChI Key:
QHTHQICZOPOYCT-UHFFFAOYSA-N
SMILES:
O=C(CCN1C(=O)C=CC1=O)NCc1c(F)c(F)c(c(c1F)F)N=[N+]=[N-]

Properties

Complexity:
635  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.064g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
371.252g/mol
Monoisotopic Mass:
371.064g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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