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Home > Boronic Acids > 849052-25-1
849052-25-1 | (4-((4-Chloro-3-methylphenoxy)methyl)phenyl)boronic acid
CAS No: 849052-25-1 Catalog No: AG008FSD MDL No:MFCD14585463
Product Description
Catalog Number:
AG008FSD
Chemical Name:
(4-((4-Chloro-3-methylphenoxy)methyl)phenyl)boronic acid
CAS Number:
849052-25-1
Molecular Formula:
C14H14BClO3
Molecular Weight:
276.5232
MDL Number:
MFCD14585463
IUPAC Name:
[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H14BClO3/c1-10-8-13(6-7-14(10)16)19-9-11-2-4-12(5-3-11)15(17)18/h2-8,17-18H,9H2,1H3
InChI Key:
OUKUADBAEFEIGP-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)COc1ccc(c(c1)C)Cl)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.523g/mol
Monoisotopic Mass:
276.072g/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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