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Home > Boronic Acids > 1201643-90-4
1201643-90-4 | Boronic acid, B-[1-(1-methylethyl)-1H-pyrazol-4-yl]-
CAS No: 1201643-90-4 Catalog No: AG000QFO MDL No:MFCD16036118
Product Description
Catalog Number:
AG000QFO
Chemical Name:
Boronic acid, B-[1-(1-methylethyl)-1H-pyrazol-4-yl]-
CAS Number:
1201643-90-4
Molecular Formula:
C6H11BN2O2
Molecular Weight:
153.9747
MDL Number:
MFCD16036118
IUPAC Name:
(1-propan-2-ylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C6H11BN2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5,10-11H,1-2H3
InChI Key:
VLVZNLMUFJYZDG-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)C(C)C)O
Properties
Complexity:
132
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:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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