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Home Aminos (3-Chloro-benzoylamino)-acetic acid

(3-Chloro-benzoylamino)-acetic acid

CAS No.:
57728-59-3
Catalog Number:
AG00EAWD
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$225
- +
5g
98%(HPLC)
In Stock USA
United States
$643
- +
Product Description
Catalog Number:
AG00EAWD
Chemical Name:
(3-Chloro-benzoylamino)-acetic acid
CAS Number:
57728-59-3
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
MDL Number:
MFCD00662251
IUPAC Name:
2-[(3-chlorobenzoyl)amino]acetic acid
InChI:
InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChI Key:
ICYUIIJXZHPESK-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1cccc(c1)Cl
NSC Number:
201882
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.617g/mol
Monoisotopic Mass:
213.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). Bioorganic & medicinal chemistry 20081201
Identification of bupropion urinary metabolites by liquid chromatography/mass spectrometry. Rapid communications in mass spectrometry : RCM 20070101
Properties