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Home > Nitro Compounds > 50445-50-6
50445-50-6 | Benzamide, N-ethyl-4-nitro-
CAS No: 50445-50-6 Catalog No: AG00I92B MDL No:MFCD01211872
Product Description
Catalog Number:
AG00I92B
Chemical Name:
Benzamide, N-ethyl-4-nitro-
CAS Number:
50445-50-6
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD01211872
IUPAC Name:
N-ethyl-4-nitrobenzamide
InChI:
InChI=1S/C9H10N2O3/c1-2-10-9(12)7-3-5-8(6-4-7)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChI Key:
RZUZNEBLPIHWAR-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
406844
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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