3-Chloroprop-1-yne

CAT: 0127-OR6425-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR6425-01Size:100 g

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CAS Number

624-65-7

Synonyms

Propargyl chloride

MDL Number

MFCD00000980

Purity

98%

Smiles

ClCC#C

Storage Conditions

Store at 2-8°C

Chemical Information

3-Chloro-1-propyne

CAS Number	624-65-7
PubChem CID	12221
IUPAC Name	3-chloroprop-1-yne
Molecular Formula	C3H3Cl
Molecular Weight	74.51
XLogP	0.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	38

SMILES

C#CCCl

InChI

InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2

InChIKey

LJZPPWWHKPGCHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 624-65-7

CID: 12221

Formula: C3H3Cl

MW: 74.51

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	74.51
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	73.9923278
Monoisotopic Mass	73.9923278
Topological Polar Surface Area	0 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	38.5
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