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16803-75-1 | Acetamide, 2,2-dibromo-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-
CAS No: 16803-75-1 Catalog No: AG001XRD MDL No:
Product Description
Catalog Number:
AG001XRD
Chemical Name:
Acetamide, 2,2-dibromo-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-
CAS Number:
16803-75-1
Molecular Formula:
C11H12Br2N2O5
Molecular Weight:
412.0314
IUPAC Name:
2,2-dibromo-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
InChI:
InChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChI Key:
UWOHGNMWBGIRAQ-RKDXNWHRSA-N
SMILES:
OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Br)Br
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.909g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.034g/mol
Monoisotopic Mass:
409.911g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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