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Home > Boronic Acids > 1256360-17-4
1256360-17-4 | 1,3,2-Dioxaborolane, 2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-
CAS No: 1256360-17-4 Catalog No: AG000O7R MDL No:MFCD16295122
Product Description
Catalog Number:
AG000O7R
Chemical Name:
1,3,2-Dioxaborolane, 2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-
CAS Number:
1256360-17-4
Molecular Formula:
C16H21BClFO3
Molecular Weight:
326.5985
MDL Number:
MFCD16295122
IUPAC Name:
2-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H21BClFO3/c1-15(2)16(3,4)22-17(21-15)11-7-14(12(18)8-13(11)19)20-9-10-5-6-10/h7-8,10H,5-6,9H2,1-4H3
InChI Key:
JPKOOSAIHYNUSJ-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)c(cc1B1OC(C(O1)(C)C)(C)C)OCC1CC1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.599g/mol
Monoisotopic Mass:
326.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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