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1280786-89-1 | Benzenamine, 4-bromo-N-butyl-5-ethoxy-2-nitro-
CAS No: 1280786-89-1 Catalog No: AG000XSD MDL No:MFCD18783111
Product Description
Catalog Number:
AG000XSD
Chemical Name:
Benzenamine, 4-bromo-N-butyl-5-ethoxy-2-nitro-
CAS Number:
1280786-89-1
Molecular Formula:
C12H17BrN2O3
Molecular Weight:
317.1790
MDL Number:
MFCD18783111
IUPAC Name:
4-bromo-N-butyl-5-ethoxy-2-nitroaniline
InChI:
InChI=1S/C12H17BrN2O3/c1-3-5-6-14-10-8-12(18-4-2)9(13)7-11(10)15(16)17/h7-8,14H,3-6H2,1-2H3
InChI Key:
RIJGVEMBLMAOLV-UHFFFAOYSA-N
SMILES:
CCCCNc1cc(OCC)c(cc1[N+](=O)[O-])Br
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.183g/mol
Monoisotopic Mass:
316.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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