Dichloroacetic acid-d2

CAT: 0024-sc-234587Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234587Size:10 g

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CAS Number

63403-57-6

Chemical Information

Dichloroacetic acid-d2

CAS Number	63403-57-6
PubChem CID	16213287
IUPAC Name	deuterio 2,2-dichloro-2-deuterioacetate
Molecular Formula	C2H2Cl2O2
Molecular Weight	130.95
XLogP	0.9
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

[2H]C(C(=O)O[2H])(Cl)Cl

InChI

InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/i1D/hD

InChIKey

JXTHNDFMNIQAHM-PFUFQJKNSA-N

Chemical Structure

2D Structure

CAS: 63403-57-6

CID: 16213287

Formula: C2H2Cl2O2

MW: 130.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.95
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	129.9557382
Monoisotopic Mass	129.9557382
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	60.6
Isotope Atom Count	2
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
sc-214877	Dichloroacetic acid
sc-214877A	Dichloroacetic acid
sc-489921	Folic Acid-d2
sc-263339	Formic acid-D2
sc-219550	Pamidronic Acid-D2 (Major)
sc-229003	Propionic acid-2,2-d2
sc-250649	Palmitic acid-2,2-d2
sc-208503	α-Ketobutyric Acid-d2 Sodium Salt
sc-216239	2-Methyl Hippuric Acid-d2
sc-229328	Stearic acid-2,2-d2

Catalog	Name
TRC-D431826-10MG	Dichloroacetic Acid-d2
TRC-D431825-1G	Dichloroacetic Acid
S-1285	Dichloroacetic acid - 1ML
TRC-D431829-100MG	Dichloroacetic Acid-d1
D13190-01	Dichloroacetic acid 99%
AAA11654-01	Dichloroacetic Acid Methyl Ester
12088-01	Dichloroacetic Acid pure, 99%
38838782-100g	Dichloroacetic acid sodium salt
0976B 02500	Dichloroacetic Acid 99% Extrapure
NC-0409-N002.5-001	10% Dichloroacetic acid in toluene