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Home > Boronic Acids > 1256346-11-8

1256346-11-8

1256346-11-8 | Boronic acid, B-[2-chloro-5-(2-methylpropoxy)phenyl]-

CAS No: 1256346-11-8 Catalog No: AG000O1I MDL No:MFCD16295072

Product Description

Catalog Number:
AG000O1I
Chemical Name:
Boronic acid, B-[2-chloro-5-(2-methylpropoxy)phenyl]-
CAS Number:
1256346-11-8
Molecular Formula:
C10H14BClO3
Molecular Weight:
228.4804
MDL Number:
MFCD16295072
IUPAC Name:
[2-chloro-5-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C10H14BClO3/c1-7(2)6-15-8-3-4-10(12)9(5-8)11(13)14/h3-5,7,13-14H,6H2,1-2H3
InChI Key:
CTXMQMLBCJQLHJ-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(c(c1)B(O)O)Cl)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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