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Home Aminos Benzoic acid, 2-amino-, phenyl ester

Benzoic acid, 2-amino-, phenyl ester

CAS No.:
10268-69-6
Catalog Number:
AG00084E
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
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Purity
Availability
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1g
>98.0%(GC)
1 week
United States
$177
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Product Description
Catalog Number:
AG00084E
Chemical Name:
Benzoic acid, 2-amino-, phenyl ester
CAS Number:
10268-69-6
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD00060603
IUPAC Name:
phenyl 2-aminobenzoate
InChI:
InChI=1S/C13H11NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,14H2
InChI Key:
ZBFSYQBEXZGTAX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1N)Oc1ccccc1
EC Number:
233-608-1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Characterization of a selective inhibitor of the Parkinson's disease kinase LRRK2. Nature chemical biology 20110401
New noncovalent inhibitors of penicillin-binding proteins from penicillin-resistant bacteria. PloS one 20110101
Properties