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115175-13-8 | Benzamide, N-(4-iodophenyl)-4-nitro-
CAS No: 115175-13-8 Catalog No: AG000GDE MDL No:
Product Description
Catalog Number:
AG000GDE
Chemical Name:
Benzamide, N-(4-iodophenyl)-4-nitro-
CAS Number:
115175-13-8
Molecular Formula:
C13H9IN2O3
Molecular Weight:
368.1266
IUPAC Name:
N-(4-iodophenyl)-4-nitrobenzamide
InChI:
InChI=1S/C13H9IN2O3/c14-10-3-5-11(6-4-10)15-13(17)9-1-7-12(8-2-9)16(18)19/h1-8H,(H,15,17)
InChI Key:
XPRVODPEKJGMQY-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
190534
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.966g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.13g/mol
Monoisotopic Mass:
367.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures. | Acta crystallographica. Section B, Structural science 20061001 |
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