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139592-36-2

139592-36-2 | Acetamide, 2,2,2-trichloro-N-(2,6-dibromo-4-nitrophenyl)-

CAS No: 139592-36-2 Catalog No: AG001BCE MDL No:

Product Description

Catalog Number:
AG001BCE
Chemical Name:
Acetamide, 2,2,2-trichloro-N-(2,6-dibromo-4-nitrophenyl)-
CAS Number:
139592-36-2
Molecular Formula:
C8H3Br2Cl3N2O3
Molecular Weight:
441.2880
IUPAC Name:
2,2,2-trichloro-N-(2,6-dibromo-4-nitrophenyl)acetamide
InChI:
InChI=1S/C8H3Br2Cl3N2O3/c9-4-1-3(15(17)18)2-5(10)6(4)14-7(16)8(11,12)13/h1-2H,(H,14,16)
InChI Key:
BBBSLDFJIVOPCA-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)Nc1c(Br)cc(cc1Br)[N+](=O)[O-]

Properties

Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.756g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
441.281g/mol
Monoisotopic Mass:
437.758g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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