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

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

CAS No.:
1704063-96-6
Catalog Number:
AG00ARL8
Molecular Formula:
C9H13BFNO2
Molecular Weight:
197.0144
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Product Description
Catalog Number:
AG00ARL8
Chemical Name:
{3-[(Dimethylamino)methyl]-4-fluorophenyl}boronic acid
CAS Number:
1704063-96-6
Molecular Formula:
C9H13BFNO2
Molecular Weight:
197.0144
MDL Number:
MFCD27935575
IUPAC Name:
[3-[(dimethylamino)methyl]-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C9H13BFNO2/c1-12(2)6-7-5-8(10(13)14)3-4-9(7)11/h3-5,13-14H,6H2,1-2H3
InChI Key:
DOELLJCGVGGUBJ-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(ccc1F)B(O)O)C
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.102g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.016g/mol
Monoisotopic Mass:
197.102g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties