Home Aldehydes 4-Bromo-2-(oxan-2-yl)pyrazole-3-carbaldehyde

4-Bromo-2-(oxan-2-yl)pyrazole-3-carbaldehyde

CAS No.:
1345471-55-7
Catalog Number:
AG0070DE
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$200
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0070DE
Chemical Name:
4-Bromo-2-(oxan-2-yl)pyrazole-3-carbaldehyde
CAS Number:
1345471-55-7
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
MDL Number:
MFCD20441948
IUPAC Name:
4-bromo-2-(oxan-2-yl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H11BrN2O2/c10-7-5-11-12(8(7)6-13)9-3-1-2-4-14-9/h5-6,9H,1-4H2
InChI Key:
UHTOXZJBLIAAON-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)cnn1C1CCCCO1
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.103g/mol
Monoisotopic Mass:
258g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties