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Home Boronic acids 4-(Cyclopropylamino)methyl-2-fluorophenylboronic acid, HCl

4-(Cyclopropylamino)methyl-2-fluorophenylboronic acid, HCl

CAS No.:
2096331-62-1
Catalog Number:
AG01EIIP
Molecular Formula:
C10H14BClFNO2
Molecular Weight:
245.4861
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$125
- +
1g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG01EIIP
Chemical Name:
4-(Cyclopropylamino)methyl-2-fluorophenylboronic acid, HCl
CAS Number:
2096331-62-1
Molecular Formula:
C10H14BClFNO2
Molecular Weight:
245.4861
MDL Number:
MFCD19684106
IUPAC Name:
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C10H13BFNO2.ClH/c12-10-5-7(6-13-8-2-3-8)1-4-9(10)11(14)15;/h1,4-5,8,13-15H,2-3,6H2;1H
InChI Key:
SFYJPFZWNWOVJS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1F)CNC1CC1)O.Cl
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
245.485g/mol
Monoisotopic Mass:
245.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties