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Home > Nitro Compounds > 204260-91-3
204260-91-3 | N-Benzyl-3,4-dinitrobenzamide
CAS No: 204260-91-3 Catalog No: AG01FF7J MDL No:MFCD00835247
Product Description
Catalog Number:
AG01FF7J
Chemical Name:
N-Benzyl-3,4-dinitrobenzamide
CAS Number:
204260-91-3
Molecular Formula:
C14H11N3O5
Molecular Weight:
301.2542
MDL Number:
MFCD00835247
IUPAC Name:
N-benzyl-3,4-dinitrobenzamide
InChI:
InChI=1S/C14H11N3O5/c18-14(15-9-10-4-2-1-3-5-10)11-6-7-12(16(19)20)13(8-11)17(21)22/h1-8H,9H2,(H,15,18)
InChI Key:
CVERVVNTQKMFQO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.258g/mol
Monoisotopic Mass:
301.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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