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Home > Boronic Acids > 1256346-46-9
1256346-46-9 | Boronic acid, B-[2,4-dichloro-5-(2-methylpropoxy)phenyl]-
CAS No: 1256346-46-9 Catalog No: AG000O22 MDL No:MFCD17015753
Product Description
Catalog Number:
AG000O22
Chemical Name:
Boronic acid, B-[2,4-dichloro-5-(2-methylpropoxy)phenyl]-
CAS Number:
1256346-46-9
Molecular Formula:
C10H13BCl2O3
Molecular Weight:
262.9254
MDL Number:
MFCD17015753
IUPAC Name:
[2,4-dichloro-5-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C10H13BCl2O3/c1-6(2)5-16-10-3-7(11(14)15)8(12)4-9(10)13/h3-4,6,14-15H,5H2,1-2H3
InChI Key:
NIDCPTZXOXJCGW-UHFFFAOYSA-N
SMILES:
OB(c1cc(OCC(C)C)c(cc1Cl)Cl)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.921g/mol
Monoisotopic Mass:
262.033g/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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