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Home > Boronic Acids > 1256354-91-2
1256354-91-2 | Boronic acid, B-[2,4-dichloro-5-(cyclopropylmethoxy)phenyl]-
CAS No: 1256354-91-2 Catalog No: AG000O33 MDL No:MFCD17015759
Product Description
Catalog Number:
AG000O33
Chemical Name:
Boronic acid, B-[2,4-dichloro-5-(cyclopropylmethoxy)phenyl]-
CAS Number:
1256354-91-2
Molecular Formula:
C10H11BCl2O3
Molecular Weight:
260.9095
MDL Number:
MFCD17015759
IUPAC Name:
[2,4-dichloro-5-(cyclopropylmethoxy)phenyl]boronic acid
InChI:
InChI=1S/C10H11BCl2O3/c12-8-4-9(13)10(3-7(8)11(14)15)16-5-6-1-2-6/h3-4,6,14-15H,1-2,5H2
InChI Key:
RGKQIQOCKXOOTN-UHFFFAOYSA-N
SMILES:
OB(c1cc(OCC2CC2)c(cc1Cl)Cl)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.905g/mol
Monoisotopic Mass:
260.018g/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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