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1280786-63-1 | Benzenamine, 4-bromo-N-butyl-5-fluoro-2-nitro-
CAS No: 1280786-63-1 Catalog No: AG000XRZ MDL No:MFCD18783109
Product Description
Catalog Number:
AG000XRZ
Chemical Name:
Benzenamine, 4-bromo-N-butyl-5-fluoro-2-nitro-
CAS Number:
1280786-63-1
Molecular Formula:
C10H12BrFN2O2
Molecular Weight:
291.1169
MDL Number:
MFCD18783109
IUPAC Name:
4-bromo-N-butyl-5-fluoro-2-nitroaniline
InChI:
InChI=1S/C10H12BrFN2O2/c1-2-3-4-13-9-6-8(12)7(11)5-10(9)14(15)16/h5-6,13H,2-4H2,1H3
InChI Key:
MADGKUFFNLQJMI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1NCCCC)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.12g/mol
Monoisotopic Mass:
290.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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