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Home > Boronic Acids > 1256346-45-8

1256346-45-8

1256346-45-8 | Boronic acid, B-(2,4-dichloro-5-propoxyphenyl)-

CAS No: 1256346-45-8 Catalog No: AG000O23 MDL No:MFCD17015751

Product Description

Catalog Number:
AG000O23
Chemical Name:
Boronic acid, B-(2,4-dichloro-5-propoxyphenyl)-
CAS Number:
1256346-45-8
Molecular Formula:
C9H11BCl2O3
Molecular Weight:
248.8988
MDL Number:
MFCD17015751
IUPAC Name:
(2,4-dichloro-5-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BCl2O3/c1-2-3-15-9-4-6(10(13)14)7(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3
InChI Key:
IGWAPOTUMUZOAX-UHFFFAOYSA-N
SMILES:
CCCOc1cc(B(O)O)c(cc1Cl)Cl

Properties

Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.018g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.894g/mol
Monoisotopic Mass:
248.018g/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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