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921759-16-2 | Glycine, N-[2,2-dibromo-2-(phenylsulfonyl)acetyl]-
CAS No: 921759-16-2 Catalog No: AG006GPH MDL No:
Product Description
Catalog Number:
AG006GPH
Chemical Name:
Glycine, N-[2,2-dibromo-2-(phenylsulfonyl)acetyl]-
CAS Number:
921759-16-2
Molecular Formula:
C10H9Br2NO5S
Molecular Weight:
415.0552
IUPAC Name:
2-[[2-(benzenesulfonyl)-2,2-dibromoacetyl]amino]acetic acid
InChI:
InChI=1S/C10H9Br2NO5S/c11-10(12,9(16)13-6-8(14)15)19(17,18)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,16)(H,14,15)
InChI Key:
MWMUBMBHVXSQIF-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)C(S(=O)(=O)c1ccccc1)(Br)Br
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.855g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.052g/mol
Monoisotopic Mass:
412.857g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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