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Home > Boronic Acids > 1217500-54-3
1217500-54-3 | 1H-Pyrazole-1-carboxylic acid, 5-borono-, 1-(1,1-dimethylethyl) ester
CAS No: 1217500-54-3 Catalog No: AG0015PE MDL No:MFCD12025961
Product Description
Catalog Number:
AG0015PE
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 5-borono-, 1-(1,1-dimethylethyl) ester
CAS Number:
1217500-54-3
Molecular Formula:
C8H13BN2O4
Molecular Weight:
212.0108
MDL Number:
MFCD12025961
IUPAC Name:
[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-6(9(13)14)4-5-10-11/h4-5,13-14H,1-3H3
InChI Key:
BMAIJKCROWPJPY-UHFFFAOYSA-N
SMILES:
OB(c1ccnn1C(=O)OC(C)(C)C)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.012g/mol
Monoisotopic Mass:
212.097g/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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