200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1454848-24-8
1454848-24-8 | Carbamic acid, N-[(4-bromo-5-cyano-1-methyl-1H-pyrazol-3-yl)methyl]-N-methyl-, 1,1-dimethylethyl ester
CAS No: 1454848-24-8 Catalog No: AG001D3B MDL No:
Product Description
Catalog Number:
AG001D3B
Chemical Name:
Carbamic acid, N-[(4-bromo-5-cyano-1-methyl-1H-pyrazol-3-yl)methyl]-N-methyl-, 1,1-dimethylethyl ester
CAS Number:
1454848-24-8
Molecular Formula:
C12H17BrN4O2
Molecular Weight:
329.1930
IUPAC Name:
tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate
InChI:
InChI=1S/C12H17BrN4O2/c1-12(2,3)19-11(18)16(4)7-8-10(13)9(6-14)17(5)15-8/h7H2,1-5H3
InChI Key:
XXLRKGVZBYVBNQ-UHFFFAOYSA-N
SMILES:
CN(C(=O)OC(C)(C)C)Cc1nn(c(c1Br)C#N)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.198g/mol
Monoisotopic Mass:
328.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.