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Home > Boronic Acids > 1256345-48-8
1256345-48-8 | Boronic acid, B-[3-chloro-5-(2-methylpropoxy)phenyl]-
CAS No: 1256345-48-8 Catalog No: AG000NZ3 MDL No:MFCD16660268
Product Description
Catalog Number:
AG000NZ3
Chemical Name:
Boronic acid, B-[3-chloro-5-(2-methylpropoxy)phenyl]-
CAS Number:
1256345-48-8
Molecular Formula:
C10H14BClO3
Molecular Weight:
228.4804
MDL Number:
MFCD16660268
IUPAC Name:
[3-chloro-5-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C10H14BClO3/c1-7(2)6-15-10-4-8(11(13)14)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3
InChI Key:
CGTOXTWGSICCOL-UHFFFAOYSA-N
SMILES:
CC(COc1cc(Cl)cc(c1)B(O)O)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.479g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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