Home Aldehydes 3-Bromo-5-isoxazolecarboxaldehyde

3-Bromo-5-isoxazolecarboxaldehyde

CAS No.:
220780-57-4
Catalog Number:
AG00BHKD
Molecular Formula:
C4H2BrNO2
Molecular Weight:
175.9682
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$300
- +
1g
95%
1 week
United States
$695
- +
Product Description
Catalog Number:
AG00BHKD
Chemical Name:
3-Bromo-5-isoxazolecarboxaldehyde
CAS Number:
220780-57-4
Molecular Formula:
C4H2BrNO2
Molecular Weight:
175.9682
MDL Number:
MFCD09834813
IUPAC Name:
3-bromo-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C4H2BrNO2/c5-4-1-3(2-7)8-6-4/h1-2H
InChI Key:
RXGNLDFDLLMAJZ-UHFFFAOYSA-N
SMILES:
Brc1cc(on1)C=O
Properties
Complexity:
98  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.927g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.969g/mol
Monoisotopic Mass:
174.927g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties