2,2-Dibromopropanoic acid

CAT: 0127-OR64743Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

594-48-9

Synonyms

2,2-Dibromopropionic acid

MDL Number

MFCD22053378

Purity

=95%

Smiles

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

Storage Conditions

Store at 2-8°C

Chemical Information

2,2-Dibromopropanoic acid

CAS Number	594-48-9
PubChem CID	17760439
IUPAC Name	2,2-dibromopropanoic acid
Molecular Formula	C3H4Br2O2
Molecular Weight	231.87
XLogP	1.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	88

SMILES

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

InChI

InChI=1S/C3H4Br2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)

InChIKey

QVHNPERSEFABEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 594-48-9

CID: 17760439

Formula: C3H4Br2O2

MW: 231.87

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.87
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	231.85576
Monoisotopic Mass	229.85780
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	88.9
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
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OR1102080-01	2,2'-Sulfinyldiacetic acid
BUP18751	2,2-Dimethylsuccinic acid
OR1049228-01	2,2-Dimethoxypropanoic acid
PC9834-01	2,2-Difluoropropanoic acid
OR937096-01	2,2-Dimethylbutyric acid

Catalog	Name
GTR19188923	2,2-Dibromopropanoic acid
273462-01	2,3-Dibromopropanoic acid
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MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
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