Name: Name:N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Brand: Angene
SKU: AG00E0MT
Rating: 90 (10 reviews)

N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline

CAS No.:

5254-27-3

Catalog Number:

AG00E0MT

Molecular Formula:

C11H12F3N3O4

Molecular Weight:

307.2259

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Purity

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Product Description

Catalog Number:

AG00E0MT

Chemical Name:

N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline

CAS Number:

5254-27-3

Molecular Formula:

C11H12F3N3O4

Molecular Weight:

307.2259

MDL Number:

MFCD00858213

IUPAC Name:

N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline

InChI:

InChI=1S/C11H12F3N3O4/c1-3-15(4-2)10-8(16(18)19)5-7(11(12,13)14)6-9(10)17(20)21/h5-6H,3-4H2,1-2H3

InChI Key:

NLLHXVBITYTYHA-UHFFFAOYSA-N

SMILES:

CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC

Properties

Complexity:

366

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

307.229g/mol

Monoisotopic Mass:

307.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
[Screening of new 2,4- and 2,6-dinitroaniline derivates for phytotoxicity and antimitotic activity].	TSitologiia i genetika 20090101