Name: Name:2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one
Brand: Angene
SKU: AG003FEH
Rating: 90 (10 reviews)

2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one

CAS No.:

95111-49-2

Catalog Number:

AG003FEH

Molecular Formula:

C7H3Br4NO3

Molecular Weight:

468.7196

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$113

- +

95%

In Stock USA

United States

$338

- +

10g

95%

In Stock USA

United States

$563

- +

Catalog Number:

AG003FEH

Chemical Name:

2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one

CAS Number:

95111-49-2

Molecular Formula:

C7H3Br4NO3

Molecular Weight:

468.7196

MDL Number:

MFCD00067043

IUPAC Name:

2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one

InChI:

InChI=1S/C7H3Br4NO3/c1-7(12(14)15)5(10)2(8)4(13)3(9)6(7)11/h1H3

InChI Key:

KKWDBDVGMIDKLP-UHFFFAOYSA-N

SMILES:

O=C1C(=C(Br)C(C(=C1Br)Br)(C)[N+](=O)[O-])Br

Complexity:

392

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

468.681g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

468.721g/mol

Monoisotopic Mass:

464.685g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5