Home Halogens tert-butyl N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]carbamate

tert-butyl N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]carbamate

CAS No.:
2018251-37-9
Catalog Number:
AG01BRS9
Molecular Formula:
C10H16BrN3O2
Molecular Weight:
290.1569
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Product Description
Catalog Number:
AG01BRS9
Chemical Name:
tert-butyl N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methyl]carbamate
CAS Number:
2018251-37-9
Molecular Formula:
C10H16BrN3O2
Molecular Weight:
290.1569
MDL Number:
MFCD30535868
IUPAC Name:
tert-butyl N-[(4-bromo-2-methylpyrazol-3-yl)methyl]carbamate
InChI:
InChI=1S/C10H16BrN3O2/c1-10(2,3)16-9(15)12-6-8-7(11)5-13-14(8)4/h5H,6H2,1-4H3,(H,12,15)
InChI Key:
DAMRRGKNJJXBLZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1c(Br)cnn1C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.161g/mol
Monoisotopic Mass:
289.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties