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1280786-60-8 | Benzenamine, 4-bromo-N-ethyl-5-methoxy-2-nitro-
CAS No: 1280786-60-8 Catalog No: AG000XQO MDL No:MFCD18783104
Product Description
Catalog Number:
AG000XQO
Chemical Name:
Benzenamine, 4-bromo-N-ethyl-5-methoxy-2-nitro-
CAS Number:
1280786-60-8
Molecular Formula:
C9H11BrN2O3
Molecular Weight:
275.0992
MDL Number:
MFCD18783104
IUPAC Name:
4-bromo-N-ethyl-5-methoxy-2-nitroaniline
InChI:
InChI=1S/C9H11BrN2O3/c1-3-11-7-5-9(15-2)6(10)4-8(7)12(13)14/h4-5,11H,3H2,1-2H3
InChI Key:
VYNXNDSCAJEVEN-UHFFFAOYSA-N
SMILES:
CCNc1cc(OC)c(cc1[N+](=O)[O-])Br
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:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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