Name: Name:Benzoic acid,2-(4-methyl-1-piperidinyl)-5-nitro-
Brand: Angene
SKU: AG005CH1
Rating: 90 (10 reviews)

Benzoic acid,2-(4-methyl-1-piperidinyl)-5-nitro-

CAS No.:

78243-27-3

Catalog Number:

AG005CH1

Molecular Formula:

C13H16N2O4

Molecular Weight:

264.2771

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.281g/mol

Monoisotopic Mass:

264.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

Properties