Name: Name:1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-tribromo-
Brand: Angene
SKU: AG01DTTH
Rating: 90 (10 reviews)

1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-tribromo-

CAS No.:

35453-30-6

Catalog Number:

AG01DTTH

Molecular Formula:

C8H4Br3NO4

Molecular Weight:

417.8337

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

95%

In Stock USA

United States

$50

- +

250mg

95%

In Stock USA

United States

$96

- +

95%

In Stock USA

United States

$179

- +

Product Description

Catalog Number:

AG01DTTH

Chemical Name:

1,3-Benzenedicarboxylic acid, 5-amino-2,4,6-tribromo-

CAS Number:

35453-30-6

Molecular Formula:

C8H4Br3NO4

Molecular Weight:

417.8337

MDL Number:

MFCD31802315

IUPAC Name:

5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid

InChI:

InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)

InChI Key:

KGKQFJKPOZCZLD-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(Br)c(C(=O)O)c(c(c1Br)N)Br

Properties

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

416.767g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

417.835g/mol

Monoisotopic Mass:

414.769g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
2,2'-Biimidazolium 5-amino-2,4,6-tri-bromo-isophthalate.	Acta crystallographica. Section E, Structure reports online 20101101
The magic triangle goes MAD: experimental phasing with a bromine derivative.	Acta crystallographica. Section D, Biological crystallography 20100401
How to get the magic triangle and the MAD triangle into your protein crystal.	Acta crystallographica. Section F, Structural biology and crystallization communications 20091001
5-Amino-2,4,6-tribromoisophthalic acid: the MAD triangle for experimental phasing.	Acta crystallographica. Section C, Crystal structure communications 20090501