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Home > Boronic Acids > 849052-18-2
849052-18-2 | (3-Bromo-2-((4-chlorobenzyl);oxy);-5-methylphenyl);boronic acid
CAS No: 849052-18-2 Catalog No: AG003BR5 MDL No:MFCD06411365
Product Description
Catalog Number:
AG003BR5
Chemical Name:
(3-Bromo-2-((4-chlorobenzyl);oxy);-5-methylphenyl);boronic acid
CAS Number:
849052-18-2
Molecular Formula:
C14H13BBrClO3
Molecular Weight:
355.4192
MDL Number:
MFCD06411365
IUPAC Name:
[3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H13BBrClO3/c1-9-6-12(15(18)19)14(13(16)7-9)20-8-10-2-4-11(17)5-3-10/h2-7,18-19H,8H2,1H3
InChI Key:
DKUPKFVGBUWCOP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COc1c(Br)cc(cc1B(O)O)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.983g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.419g/mol
Monoisotopic Mass:
353.983g/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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