2,5-Dibromoterephthalic acid

Catalog Number	ACM13731823-2
CAS	13731-82-3
Structure
Synonyms	2,5-Dibromobenzene-1,4-dicarboxylic acid
IUPAC Name	2,5-dibromoterephthalic acid
Molecular Weight	323.92
Molecular Formula	C8H4O4Br2
InChI	InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key	VUTICWRXMKBOSF-UHFFFAOYSA-N
Melting Point	318 °C
Purity	98%
Appearance	Off-white solid
Storage	Store under inert gas
Complexity	230
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
EC Number	237-300-8
Exact Mass	323.84558g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
MDL Number	MFCD00204593
Monoisotopic Mass	321.84763g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6Ų

Q&A

What is the molecular formula of 2,5-Dibromoterephthalic acid?

The molecular formula is C8H4Br2O4.

What is the molecular weight of 2,5-Dibromoterephthalic acid?

The molecular weight is 323.92 g/mol.

What is the IUPAC name of 2,5-Dibromoterephthalic acid?

The IUPAC name is 2,5-dibromoterephthalic acid.

What is the InChI of 2,5-Dibromoterephthalic acid?

The InChI is InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14).

What is the InChIKey of 2,5-Dibromoterephthalic acid?

The InChIKey is VUTICWRXMKBOSF-UHFFFAOYSA-N.

What is the canonical SMILES of 2,5-Dibromoterephthalic acid?

The canonical SMILES is C1=C(C(=CC(=C1Br)C(=O)O)Br)C(=O)O.

What is the CAS number of 2,5-Dibromoterephthalic acid?

The CAS number is 13731-82-3.

What is the EC number of 2,5-Dibromoterephthalic acid?

The EC number is 237-300-8.

What is the UNII of 2,5-Dibromoterephthalic acid?

The UNII is 63JN659KM5.