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Home > Boronic Acids > 1003298-85-8
1003298-85-8 | Boronic acid, B-[3,5-dichloro-4-(phenylmethoxy)phenyl]-
CAS No: 1003298-85-8 Catalog No: AG0001M7 MDL No:MFCD04039002
Product Description
Catalog Number:
AG0001M7
Chemical Name:
Boronic acid, B-[3,5-dichloro-4-(phenylmethoxy)phenyl]-
CAS Number:
1003298-85-8
Molecular Formula:
C13H11BCl2O3
Molecular Weight:
296.9416
MDL Number:
MFCD04039002
IUPAC Name:
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H11BCl2O3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key:
BAXPPGSWZDNMOG-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(c(c1)Cl)OCc1ccccc1)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.938g/mol
Monoisotopic Mass:
296.018g/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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