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Home > Boronic Acids > 847818-62-6
847818-62-6 | (1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid
CAS No: 847818-62-6 Catalog No: AG0032B4 MDL No:MFCD11183310
Product Description
Catalog Number:
AG0032B4
Chemical Name:
(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid
CAS Number:
847818-62-6
Molecular Formula:
C6H11BN2O2
Molecular Weight:
153.9747
MDL Number:
MFCD11183310
IUPAC Name:
(1,3,5-trimethylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C6H11BN2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h10-11H,1-3H3
InChI Key:
AWOUMBMZDWJMGM-UHFFFAOYSA-N
SMILES:
OB(c1c(C)nn(c1C)C)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.091g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.976g/mol
Monoisotopic Mass:
154.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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