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Home > Boronic Acids > 849052-16-0
849052-16-0 | (3-Bromo-2-((3-bromobenzyl);oxy);-5-methylphenyl);boronic acid
CAS No: 849052-16-0 Catalog No: AG003BR1 MDL No:MFCD06411363
Product Description
Catalog Number:
AG003BR1
Chemical Name:
(3-Bromo-2-((3-bromobenzyl);oxy);-5-methylphenyl);boronic acid
CAS Number:
849052-16-0
Molecular Formula:
C14H13BBr2O3
Molecular Weight:
399.8702
MDL Number:
MFCD06411363
IUPAC Name:
[3-bromo-2-[(3-bromophenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H13BBr2O3/c1-9-5-12(15(18)19)14(13(17)6-9)20-8-10-3-2-4-11(16)7-10/h2-7,18-19H,8H2,1H3
InChI Key:
VWXCNKUTFMOYDY-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COc1c(Br)cc(cc1B(O)O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.93g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.873g/mol
Monoisotopic Mass:
397.932g/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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