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Home > Boronic Acids > 874289-26-6
874289-26-6 | 2-FLUORO-4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
CAS No: 874289-26-6 Catalog No: AG00H1OR MDL No:MFCD11856045
Product Description
Catalog Number:
AG00H1OR
Chemical Name:
2-FLUORO-4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
CAS Number:
874289-26-6
Molecular Formula:
C12H15BFNO3
Molecular Weight:
251.0618
MDL Number:
MFCD11856045
IUPAC Name:
[2-fluoro-4-(piperidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C12H15BFNO3/c14-11-8-9(4-5-10(11)13(17)18)12(16)15-6-2-1-3-7-15/h4-5,8,17-18H,1-3,6-7H2
InChI Key:
AEPOPOPNJZJRMQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)B(O)O)N1CCCCC1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.064g/mol
Monoisotopic Mass:
251.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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