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Home > Nitro Compounds > 733015-02-6
733015-02-6 | 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoic acid
CAS No: 733015-02-6 Catalog No: AG019I6O MDL No:MFCD03978341
Product Description
Catalog Number:
AG019I6O
Chemical Name:
2-(4-benzylpiperidin-1-yl)-5-nitrobenzoic acid
CAS Number:
733015-02-6
Molecular Formula:
C19H20N2O4
Molecular Weight:
340.3731
MDL Number:
MFCD03978341
IUPAC Name:
2-(4-benzylpiperidin-1-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C19H20N2O4/c22-19(23)17-13-16(21(24)25)6-7-18(17)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,23)
InChI Key:
CJAVNYJBBIGXPQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N1CCC(CC1)Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.379g/mol
Monoisotopic Mass:
340.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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