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Home > Boronic Acids > 913836-27-8
913836-27-8 | 4-(2-BROMOETHOXY)PHENYLBORONIC ACID PINACOL ESTER
CAS No: 913836-27-8 Catalog No: AG00GTCP MDL No:MFCD09027285
Product Description
Catalog Number:
AG00GTCP
Chemical Name:
4-(2-BROMOETHOXY)PHENYLBORONIC ACID PINACOL ESTER
CAS Number:
913836-27-8
Molecular Formula:
C14H20BBrO3
Molecular Weight:
327.0218
MDL Number:
MFCD09027285
IUPAC Name:
2-[4-(2-bromoethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H20BBrO3/c1-13(2)14(3,4)19-15(18-13)11-5-7-12(8-6-11)17-10-9-16/h5-8H,9-10H2,1-4H3
InChI Key:
NTTOMYNPPZBRBG-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.025g/mol
Monoisotopic Mass:
326.069g/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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