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1223-44-5 | Benzeneacetic acid, 4-nitrophenyl ester
CAS No: 1223-44-5 Catalog No: AG00172P MDL No:
Product Description
Catalog Number:
AG00172P
Chemical Name:
Benzeneacetic acid, 4-nitrophenyl ester
CAS Number:
1223-44-5
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
(4-nitrophenyl) 2-phenylacetate
InChI:
InChI=1S/C14H11NO4/c16-14(10-11-4-2-1-3-5-11)19-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2
InChI Key:
SSYHGZXPSAYXLS-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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