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Home > Boronic Acids > 1218790-59-0
1218790-59-0 | Boronic acid, B-[3-chloro-5-methoxy-4-(phenylmethoxy)phenyl]-
CAS No: 1218790-59-0 Catalog No: AG00169L MDL No:MFCD15143463
Product Description
Catalog Number:
AG00169L
Chemical Name:
Boronic acid, B-[3-chloro-5-methoxy-4-(phenylmethoxy)phenyl]-
CAS Number:
1218790-59-0
Molecular Formula:
C14H14BClO4
Molecular Weight:
292.5226
MDL Number:
MFCD15143463
IUPAC Name:
(3-chloro-5-methoxy-4-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C14H14BClO4/c1-19-13-8-11(15(17)18)7-12(16)14(13)20-9-10-5-3-2-4-6-10/h2-8,17-18H,9H2,1H3
InChI Key:
IFFSNNYWDSJWKE-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OCc1ccccc1)Cl)B(O)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.522g/mol
Monoisotopic Mass:
292.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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