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2- (3-Bromopropyl) oxirane

CAT: 0926-WAA74687-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-WAA74687-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21746-87-2
MDL Number
MFCD20621280
Smiles
C1C (O1) CCCBr
Molecular Formula
C5H9BrO
Molecular Weight
165.03 g/mol
Controlled
No

Chemical Information

2-(3-Bromopropyl)oxirane
CAS Number21746-87-2
PubChem CID12462547
IUPAC Name2-(3-bromopropyl)oxirane
Molecular FormulaC5H9BrO
Molecular Weight165.03
XLogP1.6
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity56
SMILES
C1C(O1)CCCBr
InChI
InChI=1S/C5H9BrO/c6-3-1-2-5-4-7-5/h5H,1-4H2
InChIKey
ZRRZAIJKJYIGIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromopropyl)oxirane
CAS: 21746-87-2
CID: 12462547
Formula: C5H9BrO
MW: 165.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.03
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass163.98368
Monoisotopic Mass163.98368
Topological Polar Surface Area12.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity56
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
OR1041925-012- (3-Bromopropyl) oxirane
276852-01(R) - (3-Fluorophenyl) oxirane
OR1076740-012- (3-Chlorophenyl) Oxirane
sc-3396672- (3-fluorophenyl) oxirane
sc-339641A2- (3-bromophenyl) oxirane
TRC-F791730-750MG(R)-(3-Fluorophenyl)oxirane
TRC-F589608-1G2-(3-Fluorophenyl)oxirane
OR1039981-01(S) -2- (3-Chlorophenyl) oxirane
sc-339721A2- (3,4-difluorophenyl) oxirane
sc-3409132-[3- (trifluoromethyl) phenyl]oxirane

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