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Home > Boronic Acids > 1217501-27-3
1217501-27-3 | 1H-Pyrazole-1-carboxylic acid, 5-borono-3-methyl-, 1-(1,1-dimethylethyl) ester
CAS No: 1217501-27-3 Catalog No: AG0015SD MDL No:MFCD15143457
Product Description
Catalog Number:
AG0015SD
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 5-borono-3-methyl-, 1-(1,1-dimethylethyl) ester
CAS Number:
1217501-27-3
Molecular Formula:
C9H15BN2O4
Molecular Weight:
226.0374
MDL Number:
MFCD15143457
IUPAC Name:
[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C9H15BN2O4/c1-6-5-7(10(14)15)12(11-6)8(13)16-9(2,3)4/h5,14-15H,1-4H3
InChI Key:
JCGANVBFCXPIOL-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)B(O)O)C(=O)OC(C)(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.039g/mol
Monoisotopic Mass:
226.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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