Home Halogens tert-Butyl 4-(4-bromophenyl)pyrazole-1-carboxylate

tert-Butyl 4-(4-bromophenyl)pyrazole-1-carboxylate

CAS No.:
1100052-58-1
Catalog Number:
AG00HBNL
Molecular Formula:
C14H15BrN2O2
Molecular Weight:
323.1851
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$113
- +
5g
97%
In Stock USA
United States
$450
- +
25g
97%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00HBNL
Chemical Name:
tert-Butyl 4-(4-bromophenyl)pyrazole-1-carboxylate
CAS Number:
1100052-58-1
Molecular Formula:
C14H15BrN2O2
Molecular Weight:
323.1851
MDL Number:
MFCD28122678
IUPAC Name:
tert-butyl 4-(4-bromophenyl)pyrazole-1-carboxylate
InChI:
InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-9-11(8-16-17)10-4-6-12(15)7-5-10/h4-9H,1-3H3
InChI Key:
JWSVRTUIYMLKCO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cnn(c1)C(=O)OC(C)(C)C
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.032g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.19g/mol
Monoisotopic Mass:
322.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties