Chlorodibromoacetic Acid

CAT: 1299-RG-A260769-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260769-01Size:10 mg

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CAS Number

5278-95-5

Synonyms

Chlorodibromoacetic acid

Molecular Formula

C2HBr2ClO2

Molecular Weight

252.29

Product Name Synonym

Chlorodibromoacetic acid

Chemical Information

Dibromochloroacetic acid

CAS Number	5278-95-5
PubChem CID	115266
IUPAC Name	2,2-dibromo-2-chloroacetic acid
Molecular Formula	C2HBr2ClO2
Molecular Weight	252.29
XLogP	2
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	91

SMILES

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

InChI

InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

UCZDDMGNCJJAHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5278-95-5

CID: 115266

Formula: C2HBr2ClO2

MW: 252.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.29
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	251.80113
Monoisotopic Mass	249.80318
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	91.7
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

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Catalog	Name
TRC-C371038-250MG	Chlorodibromoacetic Acid
S-3892	Chlorodibromoacetic acid - 1ML
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