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Home > Nitro Compounds > 58688-76-9
58688-76-9 | N-[2-Nitro-4-(4-nitrophenoxy)phenyl]acetamide
CAS No: 58688-76-9 Catalog No: AG01FAHZ MDL No:
Product Description
Catalog Number:
AG01FAHZ
Chemical Name:
N-[2-Nitro-4-(4-nitrophenoxy)phenyl]acetamide
CAS Number:
58688-76-9
Molecular Formula:
C14H11N3O6
Molecular Weight:
317.2536
IUPAC Name:
N-[2-nitro-4-(4-nitrophenoxy)phenyl]acetamide
InChI:
InChI=1S/C14H11N3O6/c1-9(18)15-13-7-6-12(8-14(13)17(21)22)23-11-4-2-10(3-5-11)16(19)20/h2-8H,1H3,(H,15,18)
InChI Key:
JMGAVNHGBJHONY-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.065g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.257g/mol
Monoisotopic Mass:
317.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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