2-Ethylbutyl carbonochloridate

CAT: 0127-OR1047588-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1047588-01Size:100 mg

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CAS Number

58906-64-2

MDL Number

MFCD29990706

Purity

95%

Smiles

O=C(OCC(CC)CC)Cl

Chemical Information

2-Ethylbutyl carbonochloridate

CAS Number	58906-64-2
PubChem CID	54412042
IUPAC Name	2-ethylbutyl carbonochloridate
Molecular Formula	C7H13ClO2
Molecular Weight	164.63
XLogP	3.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

CCC(CC)COC(=O)Cl

InChI

InChI=1S/C7H13ClO2/c1-3-6(4-2)5-10-7(8)9/h6H,3-5H2,1-2H3

InChIKey

VUUZCSIOWVZJQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58906-64-2

CID: 54412042

Formula: C7H13ClO2

MW: 164.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.63
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	164.0604073
Monoisotopic Mass	164.0604073
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.8
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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