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1443380-15-1

1443380-15-1 | 2,3-Difluoro-4-piperidinophenylboronic acid

CAS No: 1443380-15-1 Catalog No: AG00AQH5 MDL No:MFCD20441791

Product Description

Catalog Number:
AG00AQH5
Chemical Name:
2,3-Difluoro-4-piperidinophenylboronic acid
CAS Number:
1443380-15-1
Molecular Formula:
C11H14BF2NO2
Molecular Weight:
241.0422
MDL Number:
MFCD20441791
IUPAC Name:
(2,3-difluoro-4-piperidin-1-ylphenyl)boronic acid
InChI:
InChI=1S/C11H14BF2NO2/c13-10-8(12(16)17)4-5-9(11(10)14)15-6-2-1-3-7-15/h4-5,16-17H,1-3,6-7H2
InChI Key:
XVHZOHDPQCQVDE-UHFFFAOYSA-N
SMILES:
Fc1c(ccc(c1F)B(O)O)N1CCCCC1

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.109g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.045g/mol
Monoisotopic Mass:
241.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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