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Home > Boronic Acids > 1025495-85-5
1025495-85-5 | Boronic acid, B-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-
CAS No: 1025495-85-5 Catalog No: AG0007ON MDL No:MFCD08572133
Product Description
Catalog Number:
AG0007ON
Chemical Name:
Boronic acid, B-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-
CAS Number:
1025495-85-5
Molecular Formula:
C11H13BN2O2
Molecular Weight:
216.0441
MDL Number:
MFCD08572133
IUPAC Name:
[4-(3,5-dimethylpyrazol-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BN2O2/c1-8-7-9(2)14(13-8)11-5-3-10(4-6-11)12(15)16/h3-7,15-16H,1-2H3
InChI Key:
OJUOPNGDUVRDFU-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1ccc(cc1)B(O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.047g/mol
Monoisotopic Mass:
216.107g/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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