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1242336-59-9 | Benzenamine, 4-bromo-5-ethoxy-2-nitro-
CAS No: 1242336-59-9 Catalog No: AG000LQH MDL No:MFCD16660262
Product Description
Catalog Number:
AG000LQH
Chemical Name:
Benzenamine, 4-bromo-5-ethoxy-2-nitro-
CAS Number:
1242336-59-9
Molecular Formula:
C8H9BrN2O3
Molecular Weight:
261.0727
MDL Number:
MFCD16660262
IUPAC Name:
4-bromo-5-ethoxy-2-nitroaniline
InChI:
InChI=1S/C8H9BrN2O3/c1-2-14-8-4-6(10)7(11(12)13)3-5(8)9/h3-4H,2,10H2,1H3
InChI Key:
VZUYPQXQCGVAFU-UHFFFAOYSA-N
SMILES:
CCOc1cc(N)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.075g/mol
Monoisotopic Mass:
259.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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