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114309-89-6 | Benzenamine, 4,4'-methylenebis[2-bromo-6-ethyl-
CAS No: 114309-89-6 Catalog No: AG000B18 MDL No:
Product Description
Catalog Number:
AG000B18
Chemical Name:
Benzenamine, 4,4'-methylenebis[2-bromo-6-ethyl-
CAS Number:
114309-89-6
Molecular Formula:
C17H20Br2N2
Molecular Weight:
412.1621
IUPAC Name:
4-[(4-amino-3-bromo-5-ethylphenyl)methyl]-2-bromo-6-ethylaniline
InChI:
InChI=1S/C17H20Br2N2/c1-3-12-6-10(8-14(18)16(12)20)5-11-7-13(4-2)17(21)15(19)9-11/h6-9H,3-5,20-21H2,1-2H3
InChI Key:
CZVFHRQQSOPGSI-UHFFFAOYSA-N
SMILES:
CCc1cc(Cc2cc(Br)c(c(c2)CC)N)cc(c1N)Br
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.997g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.169g/mol
Monoisotopic Mass:
409.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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