Home Other Building Blocks 2-BROMO-1-(1,2-OXAZOL-3-YL)ETHAN-1-ONE

2-BROMO-1-(1,2-OXAZOL-3-YL)ETHAN-1-ONE

CAS No.:
855292-87-4
Catalog Number:
AG01DWPZ
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
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Product Description
Catalog Number:
AG01DWPZ
Chemical Name:
2-BROMO-1-(1,2-OXAZOL-3-YL)ETHAN-1-ONE
CAS Number:
855292-87-4
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
MDL Number:
MFCD23845069
IUPAC Name:
2-bromo-1-(1,2-oxazol-3-yl)ethanone
InChI:
InChI=1S/C5H4BrNO2/c6-3-5(8)4-1-2-9-7-4/h1-2H,3H2
InChI Key:
LBLQLLDXYAESSQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccon1
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.943g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.996g/mol
Monoisotopic Mass:
188.943g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties