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Home > Boronic Acids > 1626407-50-8
1626407-50-8 | methyl 4-(bromomethyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS No: 1626407-50-8 Catalog No: AG00HYRX MDL No:MFCD27924237
Product Description
Catalog Number:
AG00HYRX
Chemical Name:
methyl 4-(bromomethyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number:
1626407-50-8
Molecular Formula:
C15H20BBrO4
Molecular Weight:
355.0319
MDL Number:
MFCD27924237
IUPAC Name:
methyl 4-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H20BBrO4/c1-14(2)15(3,4)21-16(20-14)12-8-10(13(18)19-5)6-7-11(12)9-17/h6-8H,9H2,1-5H3
InChI Key:
IZFIPFIGKZZNHR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)CBr
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.035g/mol
Monoisotopic Mass:
354.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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