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2246801-72-7 | N-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide
CAS No: 2246801-72-7 Catalog No: AG00QIIQ MDL No:
Product Description
Catalog Number:
AG00QIIQ
Chemical Name:
N-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide
CAS Number:
2246801-72-7
Molecular Formula:
C17H23BFNO3
Molecular Weight:
319.1788
IUPAC Name:
N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide
InChI:
InChI=1S/C17H23BFNO3/c1-16(2)17(3,4)23-18(22-16)13-9-8-12(10-14(13)19)20-15(21)11-6-5-7-11/h8-11H,5-7H2,1-4H3,(H,20,21)
InChI Key:
TYJXELGDCHWHEY-UHFFFAOYSA-N
SMILES:
O=C(C1CCC1)Nc1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.176g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.183g/mol
Monoisotopic Mass:
319.176g/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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