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2- (4-Bromophenyl) -2-oxazoline

CAT: 0127-OR78573-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR78573-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189120-01-2
MDL Number
MFCD00464467
Purity
97%
Smiles
BrC1=CC=C(C2=NCCO2)C=C1

Chemical Information

2-(4-Bromophenyl)-4,5-dihydro-1,3-oxazole
CAS Number189120-01-2
PubChem CID793775
IUPAC Name2-(4-bromophenyl)-4,5-dihydro-1,3-oxazole
Molecular FormulaC9H8BrNO
Molecular Weight226.07
XLogP2.1
Topological Polar Surface Area21.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
C1COC(=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKey
OHJDDVYUQCSBSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromophenyl)-4,5-dihydro-1,3-oxazole
CAS: 189120-01-2
CID: 793775
Formula: C9H8BrNO
MW: 226.07
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.07
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass224.97893
Monoisotopic Mass224.97893
Topological Polar Surface Area21.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
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
433503-014,4-Dimethyl-2- (4-bromophenyl) -2-oxazoline
TRC-D471160-25MG4,4-Dimethyl-2-(4-bromophenyl)-2-oxazoline
TRC-A602090-500MG2-Amino-5-(p-bromophenyl)-2-oxazoline
415201-012-Amino-5- (p-bromophenyl) -2-oxazoline
sc-2677624,4-Dimethyl-2-oxazoline
TRC-M796600-1G2,4,4-Trimethyl-2-oxazoline
sc-2268074,4-Dimethyl-2-phenyl-2-oxazoline
sc-2748242-Ethyl-4,4-dimethyl-2-oxazoline
D41450-012,4-Dimethyl-4-hydroxymethyl-2-oxazoline
sc-2654292-Benzyl-4,4-dimethyl-2-oxazoline

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