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114390-43-1 | Acetamide, N-[2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenyl]-
CAS No: 114390-43-1 Catalog No: AG000B7E MDL No:
Product Description
Catalog Number:
AG000B7E
Chemical Name:
Acetamide, N-[2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenyl]-
CAS Number:
114390-43-1
Molecular Formula:
C16H22Br2N2O
Molecular Weight:
418.1667
IUPAC Name:
N-[2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenyl]acetamide
InChI:
InChI=1S/C16H22Br2N2O/c1-11(21)20-16-13(7-14(17)8-15(16)18)10-19-9-12-5-3-2-4-6-12/h7-8,12,19H,2-6,9-10H2,1H3,(H,20,21)
InChI Key:
OUZPRYTYFHVCKL-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(CNCC2CCCCC2)cc(cc1Br)Br
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.008g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.173g/mol
Monoisotopic Mass:
416.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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