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114387-05-2 | Benzenamine, 4-[2-(2-bromo-4,6-dimethylphenyl)diazenyl]-N,N-diethyl-
CAS No: 114387-05-2 Catalog No: AG000B7Y MDL No:
Product Description
Catalog Number:
AG000B7Y
Chemical Name:
Benzenamine, 4-[2-(2-bromo-4,6-dimethylphenyl)diazenyl]-N,N-diethyl-
CAS Number:
114387-05-2
Molecular Formula:
C18H22BrN3
Molecular Weight:
360.2914
IUPAC Name:
4-[(2-bromo-4,6-dimethylphenyl)diazenyl]-N,N-diethylaniline
InChI:
InChI=1S/C18H22BrN3/c1-5-22(6-2)16-9-7-15(8-10-16)20-21-18-14(4)11-13(3)12-17(18)19/h7-12H,5-6H2,1-4H3
InChI Key:
BHKADIHARVUTHV-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=Nc1c(C)cc(cc1Br)C)CC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.299g/mol
Monoisotopic Mass:
359.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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