Name: Name:2-Chloro-4,6-dinitroaniline
Brand: Angene
SKU: AG003GWV
Rating: 90 (10 reviews)

2-Chloro-4,6-dinitroaniline

CAS No.:

3531-19-9

Catalog Number:

AG003GWV

Molecular Formula:

C6H4ClN3O4

Molecular Weight:

217.5667

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Product Description

Catalog Number:

AG003GWV

Chemical Name:

2-Chloro-4,6-dinitroaniline

CAS Number:

3531-19-9

Molecular Formula:

C6H4ClN3O4

Molecular Weight:

217.5667

MDL Number:

MFCD00007147

IUPAC Name:

2-chloro-4,6-dinitroaniline

InChI:

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

InChI Key:

LHRIICYSGQGXSX-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N

EC Number:

222-564-9

Properties

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.565g/mol

Monoisotopic Mass:

216.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Molecular crystals: pinching polymorphs.	Nature materials 20050601
Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline.	Chemical communications (Cambridge, England) 20050521

Properties