Home Halogens Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1h-pyrazole-4-carboxylate

Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1h-pyrazole-4-carboxylate

CAS No.:
1434142-09-2
Catalog Number:
AG00HWX2
Molecular Formula:
C10H13BrN2O3
Molecular Weight:
289.1258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$315
- +
1g
95%
In Stock USA
United States
$788
- +
5g
95%
In Stock USA
United States
$2363
- +
Product Description
Catalog Number:
AG00HWX2
Chemical Name:
Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1h-pyrazole-4-carboxylate
CAS Number:
1434142-09-2
Molecular Formula:
C10H13BrN2O3
Molecular Weight:
289.1258
MDL Number:
MFCD26959101
IUPAC Name:
methyl 5-bromo-1-(oxan-2-yl)pyrazole-4-carboxylate
InChI:
InChI=1S/C10H13BrN2O3/c1-15-10(14)7-6-12-13(9(7)11)8-4-2-3-5-16-8/h6,8H,2-5H2,1H3
InChI Key:
LPVKDOWUUBOZJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1Br)C1CCCCO1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.011g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.129g/mol
Monoisotopic Mass:
288.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties