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Home > Boronic Acids > 847818-55-7
847818-55-7 | (1-Methyl-1H-pyrazol-4-yl)boronic acid
CAS No: 847818-55-7 Catalog No: AG0032SQ MDL No:MFCD09414709
Product Description
Catalog Number:
AG0032SQ
Chemical Name:
(1-Methyl-1H-pyrazol-4-yl)boronic acid
CAS Number:
847818-55-7
Molecular Formula:
C4H7BN2O2
Molecular Weight:
125.9216
MDL Number:
MFCD09414709
IUPAC Name:
(1-methylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C4H7BN2O2/c1-7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3
InChI Key:
RYGOBSYXIIUFOR-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)B(O)O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.06g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.922g/mol
Monoisotopic Mass:
126.06g/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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