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Home > Boronic Acids > 1256346-12-9
1256346-12-9 | Boronic acid, B-[2-chloro-5-(1-methylethoxy)phenyl]-
CAS No: 1256346-12-9 Catalog No: AG000O1H MDL No:MFCD16295073
Product Description
Catalog Number:
AG000O1H
Chemical Name:
Boronic acid, B-[2-chloro-5-(1-methylethoxy)phenyl]-
CAS Number:
1256346-12-9
Molecular Formula:
C9H12BClO3
Molecular Weight:
214.4538
MDL Number:
MFCD16295073
IUPAC Name:
(2-chloro-5-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BClO3/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6,12-13H,1-2H3
InChI Key:
YRJUDZPRHUDUCB-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1)B(O)O)Cl)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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