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Home > Boronic Acids > 313545-47-0
313545-47-0 | (2-Chloro-4-isopropoxyphenyl)boronic acid
CAS No: 313545-47-0 Catalog No: AG007H9P MDL No:MFCD02684319
Product Description
Catalog Number:
AG007H9P
Chemical Name:
(2-Chloro-4-isopropoxyphenyl)boronic acid
CAS Number:
313545-47-0
Molecular Formula:
C9H12BClO3
Molecular Weight:
214.4538
MDL Number:
MFCD02684319
IUPAC Name:
(2-chloro-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BClO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3
InChI Key:
OKGHQUDYWHNUKC-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1)Cl)B(O)O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.452g/mol
Monoisotopic Mass:
214.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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