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Home > Nitro Compounds > 3101-11-9
3101-11-9 | Glycine, N-benzoyl-, 4-nitrophenyl ester
CAS No: 3101-11-9 Catalog No: AG00I5TE MDL No:MFCD00483664
Product Description
Catalog Number:
AG00I5TE
Chemical Name:
Glycine, N-benzoyl-, 4-nitrophenyl ester
CAS Number:
3101-11-9
Molecular Formula:
C15H12N2O5
Molecular Weight:
300.2662
MDL Number:
MFCD00483664
IUPAC Name:
(4-nitrophenyl) 2-benzamidoacetate
InChI:
InChI=1S/C15H12N2O5/c18-14(10-16-15(19)11-4-2-1-3-5-11)22-13-8-6-12(7-9-13)17(20)21/h1-9H,10H2,(H,16,19)
InChI Key:
ZPOAJFPTNSFEDJ-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])CNC(=O)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.27g/mol
Monoisotopic Mass:
300.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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