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2-{[ (4-Chlorophenyl) methoxy]methyl}oxirane

CAT: 0926-RCA93155-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-RCA93155-01Size:250 mg
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CAS Number
66931-55-3
MDL Number
MFCD06357333
Smiles
C1C (O1) COCC2=CC=C (C=C2) Cl
Molecular Formula
C10H11ClO2
Molecular Weight
198.64 g/mol
Controlled
No

Chemical Information

2-{[(4-Chlorophenyl)methoxy]methyl}oxirane
CAS Number66931-55-3
PubChem CID3474424
IUPAC Name2-[(4-chlorophenyl)methoxymethyl]oxirane
Molecular FormulaC10H11ClO2
Molecular Weight198.64
XLogP1.9
Topological Polar Surface Area21.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity155
SMILES
C1C(O1)COCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)5-12-6-10-7-13-10/h1-4,10H,5-7H2
InChIKey
ZDNBCVOWXDVDPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-{[(4-Chlorophenyl)methoxy]methyl}oxirane
CAS: 66931-55-3
CID: 3474424
Formula: C10H11ClO2
MW: 198.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.64
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass198.0447573
Monoisotopic Mass198.0447573
Topological Polar Surface Area21.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-3410362-{[bis (4-chlorophenyl) methoxy]methyl}oxirane
sc-2540542- (4-Chlorophenyl) oxirane
sc-352184A2-{[1- (4-chlorophenyl) ethoxy]methyl}oxirane
sc-330017AN- (4-Chlorophenyl) -2-methyl-2-oxirane carboxamide
sc-3521602-{[ (4-methylphenyl) (phenyl) methoxy]methyl}oxirane
sc-3410382-{[bis (4-methoxyphenyl) methoxy]methyl}oxirane
OR1052256-012-{[ (3,4-dimethoxyphenyl) methoxy]methyl}oxirane
sc-341037A2-{[bis (4-fluorophenyl) methoxy]methyl}oxirane
TRC-I823393-250MG2-((4-(((2-Isopropoxyethoxy)methoxy)methyl)phenoxy)methyl)oxirane
sc-394130(R) -2- (4-Chlorophenyl) oxirane

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