L-Valine, N-[(4'-bromo[1,1'-biphenyl]-4-yl)sulfonyl]-


Chemical Name: L-Valine, N-[(4'-bromo[1,1'-biphenyl]-4-yl)sulfonyl]-
CAS Number: 199850-67-4
Product Number: AG002CDQ(AGN-PC-0O6Y7D)
Synonyms:
MDL No:
Molecular Formula: C17H18BrNO4S
Molecular Weight: 412.2981

Identification/Properties


Computed Properties
Molecular Weight:
412.298g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
411.014g/mol
Monoisotopic Mass:
411.014g/mol
Topological Polar Surface Area:
91.8A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
515
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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