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1330750-39-4 | Benzenamine, 4-bromo-5-ethoxy-N-(1-methylethyl)-2-nitro-
CAS No: 1330750-39-4 Catalog No: AG00146D MDL No:MFCD19981503
Product Description
Catalog Number:
AG00146D
Chemical Name:
Benzenamine, 4-bromo-5-ethoxy-N-(1-methylethyl)-2-nitro-
CAS Number:
1330750-39-4
Molecular Formula:
C11H15BrN2O3
Molecular Weight:
303.1524
MDL Number:
MFCD19981503
IUPAC Name:
4-bromo-5-ethoxy-2-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C11H15BrN2O3/c1-4-17-11-6-9(13-7(2)3)10(14(15)16)5-8(11)12/h5-7,13H,4H2,1-3H3
InChI Key:
OOYVHFHUOZHVFE-UHFFFAOYSA-N
SMILES:
CCOc1cc(NC(C)C)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.156g/mol
Monoisotopic Mass:
302.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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