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Home > Boronic Acids > 2246875-71-6
2246875-71-6 | N-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropanamide
CAS No: 2246875-71-6 Catalog No: AG00QIIL MDL No:
Product Description
Catalog Number:
AG00QIIL
Chemical Name:
N-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropanamide
CAS Number:
2246875-71-6
Molecular Formula:
C16H23BFNO3
Molecular Weight:
307.1681
IUPAC Name:
N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpropanamide
InChI:
InChI=1S/C16H23BFNO3/c1-10(2)14(20)19-11-7-8-12(13(18)9-11)17-21-15(3,4)16(5,6)22-17/h7-10H,1-6H3,(H,19,20)
InChI Key:
BSEMZOLRQMZJDN-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.176g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.172g/mol
Monoisotopic Mass:
307.176g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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