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1280786-69-7 | Benzenamine, 4-bromo-5-methoxy-2-nitro-N-propyl-
CAS No: 1280786-69-7 Catalog No: AG000XRT MDL No:MFCD18783106
Product Description
Catalog Number:
AG000XRT
Chemical Name:
Benzenamine, 4-bromo-5-methoxy-2-nitro-N-propyl-
CAS Number:
1280786-69-7
Molecular Formula:
C10H13BrN2O3
Molecular Weight:
289.1258
MDL Number:
MFCD18783106
IUPAC Name:
4-bromo-5-methoxy-2-nitro-N-propylaniline
InChI:
InChI=1S/C10H13BrN2O3/c1-3-4-12-8-6-10(16-2)7(11)5-9(8)13(14)15/h5-6,12H,3-4H2,1-2H3
InChI Key:
YQYSDNLJABVUOY-UHFFFAOYSA-N
SMILES:
CCCNc1cc(OC)c(cc1[N+](=O)[O-])Br
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:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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