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1365272-51-0 | Benzenamine, 4-bromo-N-cyclohexyl-5-methoxy-2-nitro-
CAS No: 1365272-51-0 Catalog No: AG001204 MDL No:MFCD21609503
Product Description
Catalog Number:
AG001204
Chemical Name:
Benzenamine, 4-bromo-N-cyclohexyl-5-methoxy-2-nitro-
CAS Number:
1365272-51-0
Molecular Formula:
C13H17BrN2O3
Molecular Weight:
329.1897
MDL Number:
MFCD21609503
IUPAC Name:
4-bromo-N-cyclohexyl-5-methoxy-2-nitroaniline
InChI:
InChI=1S/C13H17BrN2O3/c1-19-13-8-11(12(16(17)18)7-10(13)14)15-9-5-3-2-4-6-9/h7-9,15H,2-6H2,1H3
InChI Key:
XHOKWZYROYEDKE-UHFFFAOYSA-N
SMILES:
COc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.194g/mol
Monoisotopic Mass:
328.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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