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1255574-53-8 | Benzenamine, 4-bromo-2-nitro-5-propoxy-
CAS No: 1255574-53-8 Catalog No: AG000NU9 MDL No:MFCD17214233
Product Description
Catalog Number:
AG000NU9
Chemical Name:
Benzenamine, 4-bromo-2-nitro-5-propoxy-
CAS Number:
1255574-53-8
Molecular Formula:
C9H11BrN2O3
Molecular Weight:
275.0992
MDL Number:
MFCD17214233
IUPAC Name:
4-bromo-2-nitro-5-propoxyaniline
InChI:
InChI=1S/C9H11BrN2O3/c1-2-3-15-9-5-7(11)8(12(13)14)4-6(9)10/h4-5H,2-3,11H2,1H3
InChI Key:
FMQQXUIUCFDKNE-UHFFFAOYSA-N
SMILES:
CCCOc1cc(N)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.995g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.102g/mol
Monoisotopic Mass:
273.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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