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Home > Boronic Acids > 1217500-96-3
1217500-96-3 | Boronic acid, B-[3-fluoro-5-(1-pyrrolidinyl)phenyl]-
CAS No: 1217500-96-3 Catalog No: AG0015RS MDL No:MFCD12546542
Product Description
Catalog Number:
AG0015RS
Chemical Name:
Boronic acid, B-[3-fluoro-5-(1-pyrrolidinyl)phenyl]-
CAS Number:
1217500-96-3
Molecular Formula:
C10H13BFNO2
Molecular Weight:
209.0251
MDL Number:
MFCD12546542
IUPAC Name:
(3-fluoro-5-pyrrolidin-1-ylphenyl)boronic acid
InChI:
InChI=1S/C10H13BFNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h5-7,14-15H,1-4H2
InChI Key:
WOSGIIGBIQODBX-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)N1CCCC1)B(O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.027g/mol
Monoisotopic Mass:
209.102g/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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