2,2-Dibromoacetic Acid

CAT: 1299-RG-P022638-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P022638-01Size:10 mg

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CAS Number

631-64-1

Synonyms

2,2-dibromoacetic acid

Molecular Formula

C2H2Br2O2

Molecular Weight

217.84

Product Name Synonym

2,2-dibromoacetic acid

Chemical Information

Dibromoacetic Acid

Dibromoacetic Acid can cause cancer according to The National Toxicology Program.

CAS Number	631-64-1
PubChem CID	12433
IUPAC Name	2,2-dibromoacetic acid
Molecular Formula	C2H2Br2O2
Molecular Weight	217.84
XLogP	1.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	60

SMILES

C(C(=O)O)(Br)Br

InChI

InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

SIEILFNCEFEENQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 631-64-1

CID: 12433

Formula: C2H2Br2O2

MW: 217.84

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.84
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	217.84011
Monoisotopic Mass	215.84215
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	60.6
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
RG-A260846-01	Dibromoacetic Acid-Methyl Ester
RG-T180914-01	2,2,2-Trichloroacetic Acid
RG-A260233-01	2,2,2-Triphenylacetic Acid
RG-D090323-01	2,2-Dichloropropanoic Acid
RG-P022577-01	2,2-Dicyanoacetic Acid
RM-H010301-01	2,2-Dibromopropanoic Acid
RG-D091310-01	2,2-Dimethylmalonic Acid
RG-D090306-01	2,2-Dichloroacetic Acid
RG-D091601-01	2,2-Dipropylmalonic Acid
RG-D090815-01	2,2-Dihydroxyacetic Acid

Catalog	Name
S-1220	Dibromoacetic acid
HY-23399R	Dibromoacetic acid (Standard)
D08860	Dibromoacetic acid 97%
TRC-B573732-25MG	Dibromoacetic Acid-1-13C
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)
TRC-T895695-1G	2,2,2-Triphenylacetic Acid
AR-V01417-01	Vildagliptin carboxylic acid 2,2,2-trifluoroacetic acid