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945-81-3 | Benzenamine, N-ethyl-4-nitro-N-nitroso-
CAS No: 945-81-3 Catalog No: AG00H5ZZ MDL No:
Product Description
Catalog Number:
AG00H5ZZ
Chemical Name:
Benzenamine, N-ethyl-4-nitro-N-nitroso-
CAS Number:
945-81-3
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
IUPAC Name:
N-ethyl-N-(4-nitrophenyl)nitrous amide
InChI:
InChI=1S/C8H9N3O3/c1-2-10(9-12)7-3-5-8(6-4-7)11(13)14/h3-6H,2H2,1H3
InChI Key:
SBWNRAWQTOBKAD-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)[N+](=O)[O-])N=O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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