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Home > Boronic Acids > 847818-64-8
847818-64-8 | (1-Isobutyl-1H-pyrazol-5-yl)boronic acid
CAS No: 847818-64-8 Catalog No: AG004XST MDL No:MFCD12407379
Product Description
Catalog Number:
AG004XST
Chemical Name:
(1-Isobutyl-1H-pyrazol-5-yl)boronic acid
CAS Number:
847818-64-8
Molecular Formula:
C7H13BN2O2
Molecular Weight:
168.0013
MDL Number:
MFCD12407379
IUPAC Name:
[2-(2-methylpropyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C7H13BN2O2/c1-6(2)5-10-7(8(11)12)3-4-9-10/h3-4,6,11-12H,5H2,1-2H3
InChI Key:
BWVFMCUVLDWEDN-UHFFFAOYSA-N
SMILES:
CC(Cn1nccc1B(O)O)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.107g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.003g/mol
Monoisotopic Mass:
168.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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