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Home > Nitro Compounds > 13691-26-4
13691-26-4 | 2-Pyrrolidinone, 1-(4-nitrophenyl)-
CAS No: 13691-26-4 Catalog No: AG0012JT MDL No:MFCD00138492
Product Description
Catalog Number:
AG0012JT
Chemical Name:
2-Pyrrolidinone, 1-(4-nitrophenyl)-
CAS Number:
13691-26-4
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD00138492
IUPAC Name:
1-(4-nitrophenyl)pyrrolidin-2-one
InChI:
InChI=1S/C10H10N2O3/c13-10-2-1-7-11(10)8-3-5-9(6-4-8)12(14)15/h3-6H,1-2,7H2
InChI Key:
YYYMDBUHBOEDTC-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(cc1)[N+](=O)[O-]
NSC Number:
172147
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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