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Home > Boronic Acids > 847818-66-0
847818-66-0 | (1-Isopentyl-1H-pyrazol-5-yl)boronic acid
CAS No: 847818-66-0 Catalog No: AG004XSS MDL No:MFCD12407381
Product Description
Catalog Number:
AG004XSS
Chemical Name:
(1-Isopentyl-1H-pyrazol-5-yl)boronic acid
CAS Number:
847818-66-0
Molecular Formula:
C8H15BN2O2
Molecular Weight:
182.0279
MDL Number:
MFCD12407381
IUPAC Name:
[2-(3-methylbutyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C8H15BN2O2/c1-7(2)4-6-11-8(9(12)13)3-5-10-11/h3,5,7,12-13H,4,6H2,1-2H3
InChI Key:
CWFZHICUFOUGRG-UHFFFAOYSA-N
SMILES:
CC(CCn1nccc1B(O)O)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.123g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.03g/mol
Monoisotopic Mass:
182.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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