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Home > Boronic Acids > 913835-88-8
913835-88-8 | (3-Bromo-5-(ethoxycarbonyl);phenyl);boronic acid
CAS No: 913835-88-8 Catalog No: AG006BHQ MDL No:MFCD08689516
Product Description
Catalog Number:
AG006BHQ
Chemical Name:
(3-Bromo-5-(ethoxycarbonyl);phenyl);boronic acid
CAS Number:
913835-88-8
Molecular Formula:
C9H10BBrO4
Molecular Weight:
272.8883
MDL Number:
MFCD08689516
IUPAC Name:
(3-bromo-5-ethoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C9H10BBrO4/c1-2-15-9(12)6-3-7(10(13)14)5-8(11)4-6/h3-5,13-14H,2H2,1H3
InChI Key:
KNUQTRXBSGKILE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)cc(c1)B(O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.889g/mol
Monoisotopic Mass:
271.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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