Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt


Chemical Name: Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt
CAS Number: 91714-93-1
Product Number: AG01EB15(AGN-PC-0VV1O2)
Synonyms:
MDL No:
Molecular Formula: C15H11BrNNaO3
Molecular Weight: 356.1465

Identification/Properties


Computed Properties
Molecular Weight:
356.151g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
354.982g/mol
Monoisotopic Mass:
354.982g/mol
Topological Polar Surface Area:
83.2A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
372
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H400
Precautionary Statements:
P273
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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