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Home > Bromides > 1021919-24-3
1021919-24-3 | 1H-Pyrazole-1-carboxylic acid, 4-bromo-3-methyl-, 1,1-dimethylethyl ester
CAS No: 1021919-24-3 Catalog No: AG0006V9 MDL No:MFCD18434446
Product Description
Catalog Number:
AG0006V9
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 4-bromo-3-methyl-, 1,1-dimethylethyl ester
CAS Number:
1021919-24-3
Molecular Formula:
C9H13BrN2O2
Molecular Weight:
261.1157
MDL Number:
MFCD18434446
IUPAC Name:
tert-butyl 4-bromo-3-methylpyrazole-1-carboxylate
InChI:
InChI=1S/C9H13BrN2O2/c1-6-7(10)5-12(11-6)8(13)14-9(2,3)4/h5H,1-4H3
InChI Key:
LRPOLTGTSAIHRO-UHFFFAOYSA-N
SMILES:
Brc1cn(nc1C)C(=O)OC(C)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.119g/mol
Monoisotopic Mass:
260.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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