Dalapon-sodium

CAT: 0024-sc-227741Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-227741Size:250 mg

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CAS Number

127-20-8

Chemical Information

Dalapon sodium

See also: Dalapon (annotation moved to).

CAS Number	127-20-8
PubChem CID	517058
IUPAC Name	sodium 2,2-dichloropropanoate
Molecular Formula	C3H3Cl2NaO2
Molecular Weight	164.95
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	93

SMILES

CC(C(=O)[O-])(Cl)Cl.[Na+]

InChI

InChI=1S/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+1/p-1

InChIKey

PDEFQWNXOUGDJR-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 127-20-8

CID: 517058

Formula: C3H3Cl2NaO2

MW: 164.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.95
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	163.9407790
Monoisotopic Mass	163.9407790
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	93.3
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	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-227740	Dalapon-methyl
sc-257299	Dalapon methyl ester solution
sc-215881C	Sodium palmitate
sc-236910	Sodium methacrylate
sc-212948	Sodium tetraphenylborate
sc-208395	Sodium Methanethiosulfonate
sc-296405	Sodium Sorbate
sc-224288	Sodium aluminate
sc-200652	Sodium phenylbutyrate
sc-215881	Sodium palmitate

Catalog	Name
445747-01	Dalapon-sodium
T31194	Dalapon
445746-01	Dalapon-methyl
S-1055	Dalapon - 1ML
TRC-D458131-25MG	Dalapon-methyl-D₃
445745-01	Dalapon methyl ester solution
1191110 500	Sodium Metabisulphite (Sodium Disulphite, Sodium Pyrosulphite)
RM-T081600-01	Thiopental Sodium And Sodium Carbonate
21121001-100g	Sodium caprylate- (Sodium octanoate)
GTR19178128-01	Emlenoflast sodium (MCC7840 sodium)