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3- (2,5-Difluorophenoxy) azetidine

CAT: 0127-PC107118Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1263378-42-2
Purity
=95%
Smiles
Fc1ccc(F)c(OC2CNC2)c1

Chemical Information

3-(2,5-Difluorophenoxy)azetidine
CAS Number1263378-42-2
PubChem CID53407686
IUPAC Name3-(2,5-difluorophenoxy)azetidine
Molecular FormulaC9H9F2NO
Molecular Weight185.17
XLogP1.5
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity175
SMILES
C1C(CN1)OC2=C(C=CC(=C2)F)F
InChI
InChI=1S/C9H9F2NO/c10-6-1-2-8(11)9(3-6)13-7-4-12-5-7/h1-3,7,12H,4-5H2
InChIKey
XECNNPZISUHUNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,5-Difluorophenoxy)azetidine
CAS: 1263378-42-2
CID: 53407686
Formula: C9H9F2NO
MW: 185.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.17
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass185.06522023
Monoisotopic Mass185.06522023
Topological Polar Surface Area21.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity175
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
VAC41277-012- (3,4,5-Trifluorophenyl) azetidine
TRC-D465935-100MG(2S)-2-(3,5-Difluorophenyl)-azetidine
QRB33155-012- (Trifluoromethyl) azetidine
260969-01Azetidine-2-carboxamide
JH915043Azetidine-2-Methanol
HY-W998307Thalidomide-5-piperazine-azetidine
VAC48949-012- (2-Fluorophenyl) azetidine
sc-3087182,2-Diallyl-azetidine
BMB22765-015- (Azetidine-1-sulfonyl) -2-chlorobenzoic acid
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