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1365272-39-4 | Benzenamine, 4-bromo-N-cyclohexyl-5-ethoxy-2-nitro-
CAS No: 1365272-39-4 Catalog No: AG00120C MDL No:MFCD21609504
Product Description
Catalog Number:
AG00120C
Chemical Name:
Benzenamine, 4-bromo-N-cyclohexyl-5-ethoxy-2-nitro-
CAS Number:
1365272-39-4
Molecular Formula:
C14H19BrN2O3
Molecular Weight:
343.2163
MDL Number:
MFCD21609504
IUPAC Name:
4-bromo-N-cyclohexyl-5-ethoxy-2-nitroaniline
InChI:
InChI=1S/C14H19BrN2O3/c1-2-20-14-9-12(13(17(18)19)8-11(14)15)16-10-6-4-3-5-7-10/h8-10,16H,2-7H2,1H3
InChI Key:
IOPHYMPBKOVGFY-UHFFFAOYSA-N
SMILES:
CCOc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.221g/mol
Monoisotopic Mass:
342.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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