Structure

6-Chloro-2,4-dinitroaniline

CAS
3531-19-9
Catalog Number
ACM3531199
Category
Amines
Molecular Weight
217.57
Molecular Formula
C6H4BrClF3N

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Specification

Hazard Statements
H315-H319-H335
RIDADR
UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
Symbol
GHS07
What is the molecular formula of 6-Chloro-2,4-dinitroaniline?

The molecular formula is C6H4ClN3O4.

What is the molecular weight of 6-Chloro-2,4-dinitroaniline?

The molecular weight is 217.57 g/mol.

What is the IUPAC name of 6-Chloro-2,4-dinitroaniline?

The IUPAC name is 2-chloro-4,6-dinitroaniline.

What is the InChI of 6-Chloro-2,4-dinitroaniline?

The InChI is InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2.

What is the InChIKey of 6-Chloro-2,4-dinitroaniline?

The InChIKey is LHRIICYSGQGXSX-UHFFFAOYSA-N.

What is the canonical SMILES of 6-Chloro-2,4-dinitroaniline?

The canonical SMILES is C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-].

What is the CAS number of 6-Chloro-2,4-dinitroaniline?

The CAS number is 3531-19-9.

How many hydrogen bond donor counts does 6-Chloro-2,4-dinitroaniline have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 6-Chloro-2,4-dinitroaniline have?

It has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of 6-Chloro-2,4-dinitroaniline?

The topological polar surface area is 118Ų.

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