N-Methyl-2,4-dinitroaniline

CAT: 0024-sc-212228Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-212228Size:100 mg

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CAS Number

2044-88-4

Chemical Information

N-methyl-2,4-dinitroaniline

CAS Number	2044-88-4
PubChem CID	74891
IUPAC Name	N-methyl-2,4-dinitroaniline
Molecular Formula	C7H7N3O4
Molecular Weight	197.15
XLogP	2.2
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	234

SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3

InChIKey

IQEJEZOCXWJNKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2044-88-4

CID: 74891

Formula: C7H7N3O4

MW: 197.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.15
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	197.04365571
Monoisotopic Mass	197.04365571
Topological Polar Surface Area	104 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-238342	2,4-Dinitroaniline
sc-232555	4-Chloro-2,6-dinitroaniline
sc-225213	2-Bromo-4,6-dinitroaniline
sc-233558	6-Chloro-2,4-dinitroaniline
sc-361981	3,4-Dinitroaniline
sc-238426	2,6-Dinitroaniline
sc-276565	3,6-Dimethyl-2,4-dinitroaniline
sc-214180	3,5-Dinitroaniline
sc-337981	Methyl 4-chloro-2- (N-methyl-N-phenylsulfamoyl) benzoate
sc-228727	N-Methyl-N- (2-hydroxyethyl) -4-aminobenzaldehyde

Catalog	Name
FM25629	N-Methyl-2,4-dinitroaniline
016729	N-Methyl-2,4-dinitroaniline-d3
TRC-M303622-10MG	N-Methyl-2,4-dinitroaniline-D₃
FAA91019	N-Methyl-2,6-dinitroaniline
TRC-E927775-1G	N-ethyl-2,4-dinitroaniline
OR1004259-01	N-Cyclopropyl-2,4-dinitroaniline
OR200049-01	N-Benzyl-2,4-dinitroaniline
TRC-B413688-50MG	N,N-dimethyl-2,4-dinitroaniline
TRC-D473922-25G	2,4-Dinitroaniline
OR1046780-01	4-Methyl-3,5-dinitroaniline