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Home > Boronic Acids > 847818-56-8
847818-56-8 | (1-Ethyl-1H-pyrazol-4-yl);boronic acid
CAS No: 847818-56-8 Catalog No: AG004OMD MDL No:MFCD10703521
Product Description
Catalog Number:
AG004OMD
Chemical Name:
(1-Ethyl-1H-pyrazol-4-yl);boronic acid
CAS Number:
847818-56-8
Molecular Formula:
C5H9BN2O2
Molecular Weight:
139.9482
MDL Number:
MFCD10703521
IUPAC Name:
(1-ethylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C5H9BN2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4,9-10H,2H2,1H3
InChI Key:
IIBSDEGSGLVNOY-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)B(O)O
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.076g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.949g/mol
Monoisotopic Mass:
140.076g/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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