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Home > Nitro Compounds > 52790-66-6
52790-66-6 | N-cyclohexyl-2,4-dinitroaniline
CAS No: 52790-66-6 Catalog No: AG00JHB5 MDL No:MFCD00099135
Product Description
Catalog Number:
AG00JHB5
Chemical Name:
N-cyclohexyl-2,4-dinitroaniline
CAS Number:
52790-66-6
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
MDL Number:
MFCD00099135
IUPAC Name:
N-cyclohexyl-2,4-dinitroaniline
InChI:
InChI=1S/C12H15N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h6-9,13H,1-5H2
InChI Key:
CGNCMUWOBHOSEQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NC1CCCCC1)[N+](=O)[O-]
NSC Number:
404031
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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