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Home > Boronic Acids > 1333403-67-0
1333403-67-0 | [3-fluoro-4-(1H-pyrazol-1-ylmethyl)phenyl]boronic acid
CAS No: 1333403-67-0 Catalog No: AG01A516 MDL No:MFCD14687222
Product Description
Catalog Number:
AG01A516
Chemical Name:
[3-fluoro-4-(1H-pyrazol-1-ylmethyl)phenyl]boronic acid
CAS Number:
1333403-67-0
Molecular Formula:
C10H10BFN2O2
Molecular Weight:
220.0080
MDL Number:
MFCD14687222
IUPAC Name:
[3-fluoro-4-(pyrazol-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H10BFN2O2/c12-10-6-9(11(15)16)3-2-8(10)7-14-5-1-4-13-14/h1-6,15-16H,7H2
InChI Key:
FDVOYBMPDRQBGK-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1Cn1cccn1)B(O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.01g/mol
Monoisotopic Mass:
220.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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