Methyl chlorodifluoroacetate

CAT: 0572-TRC-M295755-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-M295755-2.5GSize:2.5 g

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CAS Number

1514-87-0

Hazard Statement

Highly flammable liquid and vapour; UN number: UN2924; Packing Group: II

Smiles

COC(=O)C(F)(F)Cl

Molecular Formula

C3H3ClF2O2

Molecular Weight

144.51

Shipping Conditions

Room Temperature

Chemical Information

Methyl chlorodifluoroacetate

CAS Number	1514-87-0
PubChem CID	73935
IUPAC Name	methyl 2-chloro-2,2-difluoroacetate
Molecular Formula	C3H3ClF2O2
Molecular Weight	144.50
XLogP	0.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

COC(=O)C(F)(F)Cl

InChI

InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3

InChIKey

AWUPLMYXZJKHEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1514-87-0

CID: 73935

Formula: C3H3ClF2O2

MW: 144.50

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.50
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	143.9789634
Monoisotopic Mass	143.9789634
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
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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