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Home > Nitro Compounds > 78243-27-3
78243-27-3 | Benzoic acid,2-(4-methyl-1-piperidinyl)-5-nitro-
CAS No: 78243-27-3 Catalog No: AG005CH1 MDL No:MFCD01788141
Product Description
Catalog Number:
AG005CH1
Chemical Name:
Benzoic acid,2-(4-methyl-1-piperidinyl)-5-nitro-
CAS Number:
78243-27-3
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD01788141
IUPAC Name:
2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C13H16N2O4/c1-9-4-6-14(7-5-9)12-3-2-10(15(18)19)8-11(12)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChI Key:
ISYLQMMLDFSLPI-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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