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120095-20-7 | Benzeneacetic acid, 2-amino-5-chloro-α-oxo-, potassium salt (1:1)
CAS No: 120095-20-7 Catalog No: AG000QA1 MDL No:
Product Description
Catalog Number:
AG000QA1
Chemical Name:
Benzeneacetic acid, 2-amino-5-chloro-α-oxo-, potassium salt (1:1)
CAS Number:
120095-20-7
Molecular Formula:
C8H5ClKNO3
Molecular Weight:
237.6815
IUPAC Name:
potassium;2-(2-amino-5-chlorophenyl)-2-oxoacetate
InChI:
InChI=1S/C8H6ClNO3.K/c9-4-1-2-6(10)5(3-4)7(11)8(12)13;/h1-3H,10H2,(H,12,13);/q;+1/p-1
InChI Key:
KSBWDKVTDCJRSC-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(=O)c1cc(Cl)ccc1N.[K+]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.68g/mol
Monoisotopic Mass:
236.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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