Home Boronic acids 3-Bromo-5-(ethoxycarbonylmethoxy)phenylboronic acid, pinacol ester

3-Bromo-5-(ethoxycarbonylmethoxy)phenylboronic acid, pinacol ester

CAS No.:
1218789-53-7
Catalog Number:
AG00167F
Molecular Formula:
C16H22BBrO5
Molecular Weight:
385.0579
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Purity
Availability
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Price(USD)
Quantity
  
1g
97%
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United States
$625
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Product Description
Catalog Number:
AG00167F
Chemical Name:
3-Bromo-5-(ethoxycarbonylmethoxy)phenylboronic acid, pinacol ester
CAS Number:
1218789-53-7
Molecular Formula:
C16H22BBrO5
Molecular Weight:
385.0579
MDL Number:
MFCD12546592
IUPAC Name:
ethyl 2-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
InChI:
InChI=1S/C16H22BBrO5/c1-6-20-14(19)10-21-13-8-11(7-12(18)9-13)17-22-15(2,3)16(4,5)23-17/h7-9H,6,10H2,1-5H3
InChI Key:
HPHRPAOKTKCCHZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.074g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.061g/mol
Monoisotopic Mass:
384.074g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties