Home Boronic acids (3-(dimethylamino)-4-fluorophenyl)boronic acid

(3-(dimethylamino)-4-fluorophenyl)boronic acid

CAS No.:
1186215-34-8
Catalog Number:
AG0095LU
Molecular Formula:
C8H11BFNO2
Molecular Weight:
182.9878
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Product Description
Catalog Number:
AG0095LU
Chemical Name:
(3-(dimethylamino)-4-fluorophenyl)boronic acid
CAS Number:
1186215-34-8
Molecular Formula:
C8H11BFNO2
Molecular Weight:
182.9878
MDL Number:
MFCD22573089
IUPAC Name:
[3-(dimethylamino)-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C8H11BFNO2/c1-11(2)8-5-6(9(12)13)3-4-7(8)10/h3-5,12-13H,1-2H3
InChI Key:
WOWLLSRIXGQMSH-UHFFFAOYSA-N
SMILES:
CN(c1cc(ccc1F)B(O)O)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.989g/mol
Monoisotopic Mass:
183.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties