Butanedioic acid, bromo-, (2S)-


Chemical Name: Butanedioic acid, bromo-, (2S)-
CAS Number: 20859-23-8
Product Number: AG002JSK(AGN-PC-0O7OCO)
Synonyms:
MDL No:
Molecular Formula: C4H5BrO4
Molecular Weight: 196.9841

Identification/Properties


Computed Properties
Molecular Weight:
196.984g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
195.937g/mol
Monoisotopic Mass:
195.937g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
133
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:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319
Precautionary Statements:
P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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