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Home > Boronic Acids > 874219-46-2
874219-46-2 | (4-Chloro-3-(ethoxycarbonyl);phenyl);boronic acid
CAS No: 874219-46-2 Catalog No: AG004MXY MDL No:MFCD08235062
Product Description
Catalog Number:
AG004MXY
Chemical Name:
(4-Chloro-3-(ethoxycarbonyl);phenyl);boronic acid
CAS Number:
874219-46-2
Molecular Formula:
C9H10BClO4
Molecular Weight:
228.4373
MDL Number:
MFCD08235062
IUPAC Name:
(4-chloro-3-ethoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C9H10BClO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
InChI Key:
HYQMEDIXHJXOND-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(ccc1Cl)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:
228.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.435g/mol
Monoisotopic Mass:
228.036g/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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