2,5-Dibromoterephthalic acid

CAT: 0926-FD70813Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FD70813Size:250 g

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CAS Number

13731-82-3

MDL Number

MFCD00204593

Smiles

C1=C (C (=CC (=C1Br) C (=O) O) Br) C (=O) O

Molecular Formula

C8H4Br2O4

Molecular Weight

323.92 g/mol

Controlled

Chemical Information

2,5-Dibromoterephthalic acid

CAS Number	13731-82-3
PubChem CID	83690
IUPAC Name	2,5-dibromoterephthalic acid
Molecular Formula	C8H4Br2O4
Molecular Weight	323.92
XLogP	2.4
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	230

SMILES

C1=C(C(=CC(=C1Br)C(=O)O)Br)C(=O)O

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)

InChIKey

VUTICWRXMKBOSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13731-82-3

CID: 83690

Formula: C8H4Br2O4

MW: 323.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.92
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	323.84558
Monoisotopic Mass	321.84763
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	230
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
DCA70545-01	2,5,5-Trimethylhexanoic acid
FB10301-01	2,2'-Bipyridine-5,5'-dicarboxylic acid
FD70829-01	2,5-Dichloroterephthalic acid
FD70797-01	2,5-Diaminobenzoic acid
FD31020-01	2,5-Dihydroxyterephthalic acid
FD10249	2,5-Dimethylbenzoic acid
FD64911-01	2,5-Dihydroxycinnamic acid
FD71060-01	2,5-Dimethoxycinnamic acid
FD67716-01	2,5-Dichlorocinnamic acid
FD00317-01	2,5-Dihydroxybenzoic acid

Catalog	Name
sc-275393	2,5-Dibromoterephthalic acid
JH309611	2,2,5,5-tetramethylhexanedioic acid
MBS6042808-01	5-Hydroxypicolinic Acid (5-Hydroxy-2-pyridinecarboxylic Acid)
MBS6065061-01	2-Amino-5-methylbenzoic Acid (5-Methylanthranilic Acid)
MBS6025078-01	5-Aminopicolinic Acid (5-Aminopyridine-2-carboxylic Acid)
1012470 5	2-Amino-5-iodobenzoic acid (5-Iodoanthranilic acid)
261803-01	2,2'-Bipyridine-5,5'-dicarboxylic acid
TRC-D452000-5MG	5-(2,5-Dihydroxybenzylamino)-2-hydroxybenzoic Acid
sc-226872	5- (2,5-Dichlorophenyl) -2-furoic acid
272448-01	5- (2,5-Dihydroxybenzylamino) -2-hydroxybenzoic acid