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Home > Boronic Acids > 1334173-41-9
1334173-41-9 | Boronic acid, B-?[2-?fluoro-?5-?(1-?pyrrolidinylmethyl)?phenyl]?-
CAS No: 1334173-41-9 Catalog No: AG01FFXJ MDL No:
Product Description
Catalog Number:
AG01FFXJ
Chemical Name:
Boronic acid, B-?[2-?fluoro-?5-?(1-?pyrrolidinylmethyl)?phenyl]?-
CAS Number:
1334173-41-9
Molecular Formula:
C11H15BFNO2
Molecular Weight:
223.0517
IUPAC Name:
[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO2/c13-11-4-3-9(7-10(11)12(15)16)8-14-5-1-2-6-14/h3-4,7,15-16H,1-2,5-6,8H2
InChI Key:
HLWMXKJWFMWNGE-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1F)CN1CCCC1)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.054g/mol
Monoisotopic Mass:
223.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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