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Home > Boronic Acids > 474709-76-7
474709-76-7 | (3-CHLORO-4-ETHOXYCARBONYL)BENZENEBORONIC ACID
CAS No: 474709-76-7 Catalog No: AG00DABZ MDL No:MFCD06659929
Product Description
Catalog Number:
AG00DABZ
Chemical Name:
(3-CHLORO-4-ETHOXYCARBONYL)BENZENEBORONIC ACID
CAS Number:
474709-76-7
Molecular Formula:
C15H20BClO4
Molecular Weight:
310.5809
MDL Number:
MFCD06659929
IUPAC Name:
ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H20BClO4/c1-6-19-13(18)11-8-7-10(9-12(11)17)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChI Key:
GYLSDPPQNVGXBD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.581g/mol
Monoisotopic Mass:
310.114g/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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