Home Boronic acids {4-[(dimethylamino)methyl]-3-fluorophenyl}boronic acid hydrochloride

{4-[(dimethylamino)methyl]-3-fluorophenyl}boronic acid hydrochloride

CAS No.:
1485417-92-2
Catalog Number:
AG01A1YD
Molecular Formula:
C9H14BClFNO2
Molecular Weight:
233.4754
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A1YD
Chemical Name:
{4-[(dimethylamino)methyl]-3-fluorophenyl}boronic acid hydrochloride
CAS Number:
1485417-92-2
Molecular Formula:
C9H14BClFNO2
Molecular Weight:
233.4754
MDL Number:
MFCD22565984
IUPAC Name:
[4-[(dimethylamino)methyl]-3-fluorophenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C9H13BFNO2.ClH/c1-12(2)6-7-3-4-8(10(13)14)5-9(7)11;/h3-5,13-14H,6H2,1-2H3;1H
InChI Key:
DVDVVRWHHOBPEU-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(cc1F)B(O)O)C.Cl
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
233.474g/mol
Monoisotopic Mass:
233.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties