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Home > Boronic Acids > 2096996-81-3
2096996-81-3 | 4-(1-Carboxycyclopropyl)-3-fluorophenylboronic acid pinacol ester
CAS No: 2096996-81-3 Catalog No: AG01EHNZ MDL No:MFCD21609690
Product Description
Catalog Number:
AG01EHNZ
Chemical Name:
4-(1-Carboxycyclopropyl)-3-fluorophenylboronic acid pinacol ester
CAS Number:
2096996-81-3
MDL Number:
MFCD21609690
IUPAC Name:
1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C16H20BFO4/c1-14(2)15(3,4)22-17(21-14)10-5-6-11(12(18)9-10)16(7-8-16)13(19)20/h5-6,9H,7-8H2,1-4H3,(H,19,20)
InChI Key:
WCLUOZCSETWVDM-UHFFFAOYSA-N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.144g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.14g/mol
Monoisotopic Mass:
306.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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