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10268-69-6 | Benzoic acid, 2-amino-, phenyl ester
CAS No: 10268-69-6 Catalog No: AG00084E MDL No:MFCD00060603
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 |
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