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1255574-66-3 | Benzenamine, 4-bromo-5-butoxy-2-nitro-
CAS No: 1255574-66-3 Catalog No: AG000NV4 MDL No:MFCD17214236
Product Description
Catalog Number:
AG000NV4
Chemical Name:
Benzenamine, 4-bromo-5-butoxy-2-nitro-
CAS Number:
1255574-66-3
Molecular Formula:
C10H13BrN2O3
Molecular Weight:
289.1258
MDL Number:
MFCD17214236
IUPAC Name:
4-bromo-5-butoxy-2-nitroaniline
InChI:
InChI=1S/C10H13BrN2O3/c1-2-3-4-16-10-6-8(12)9(13(14)15)5-7(10)11/h5-6H,2-4,12H2,1H3
InChI Key:
MGECGULQZHLGPU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1N)OCCCC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.011g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.129g/mol
Monoisotopic Mass:
288.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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