2,2-Dichloropropionic acid

CAT: 0127-OR1043735-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043735-02Size:50 g

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CAS Number

75-99-0

Purity

95%

Chemical Information

Dalapon

Dalapon is an organohalogen compound and a carboxylic acid.

CAS Number	75-99-0
PubChem CID	6418
IUPAC Name	2,2-dichloropropanoic acid
Molecular Formula	C3H4Cl2O2
Molecular Weight	142.97
XLogP	1.3
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)(Cl)Cl

InChI

InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)

InChIKey

NDUPDOJHUQKPAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75-99-0

CID: 6418

Formula: C3H4Cl2O2

MW: 142.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.97
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	141.9588348
Monoisotopic Mass	141.9588348
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

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Catalog	Name
CS-DV-01203	2,2-Dichloropropionic acid
sc-256281	2,3-Dichloropropionic acid
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S-4305	23-Dichloropropionic acid - 1ML
D16930-01	A, a-Dichloropropionic acid sodium salt
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