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Home > Boronic Acids > 1287753-37-0
1287753-37-0 | [2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methoxyphenyl]boronic acid hydrochloride
CAS No: 1287753-37-0 Catalog No: AG00HRUS MDL No:MFCD13186175
Product Description
Catalog Number:
AG00HRUS
Chemical Name:
[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methoxyphenyl]boronic acid hydrochloride
CAS Number:
1287753-37-0
Molecular Formula:
C12H15BN2O3
Molecular Weight:
246.0701
MDL Number:
MFCD13186175
IUPAC Name:
[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]boronic acid
InChI:
InChI=1S/C12H15BN2O3/c1-8-6-9(2)15(14-8)12-7-10(18-3)4-5-11(12)13(16)17/h4-7,16-17H,1-3H3
InChI Key:
SMUCSGQOJLQYHU-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)n1nc(cc1C)C)B(O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.073g/mol
Monoisotopic Mass:
246.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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