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113997-25-4 | Benzenamine, 4-(2-bromo-4,6-dimethylphenoxy)-
CAS No: 113997-25-4 Catalog No: AG000A9B MDL No:
Product Description
Catalog Number:
AG000A9B
Chemical Name:
Benzenamine, 4-(2-bromo-4,6-dimethylphenoxy)-
CAS Number:
113997-25-4
Molecular Formula:
C14H14BrNO
Molecular Weight:
292.1711
IUPAC Name:
4-(2-bromo-4,6-dimethylphenoxy)aniline
InChI:
InChI=1S/C14H14BrNO/c1-9-7-10(2)14(13(15)8-9)17-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3
InChI Key:
MJKUPSXIVIHMNX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1c(C)cc(cc1Br)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.176g/mol
Monoisotopic Mass:
291.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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