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Home > Boronic Acids > 1351500-37-2
1351500-37-2 | 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetic acid, ethyl ester
CAS No: 1351500-37-2 Catalog No: AG00HTWS MDL No:MFCD22381130
Product Description
Catalog Number:
AG00HTWS
Chemical Name:
2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetic acid, ethyl ester
CAS Number:
1351500-37-2
Molecular Formula:
C16H22BFO4
Molecular Weight:
308.1529
MDL Number:
MFCD22381130
IUPAC Name:
ethyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C16H22BFO4/c1-6-20-14(19)9-11-7-8-12(10-13(11)18)17-21-15(2,3)16(4,5)22-17/h7-8,10H,6,9H2,1-5H3
InChI Key:
IDLKSCIRMPIZOL-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.16g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.156g/mol
Monoisotopic Mass:
308.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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