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Home > Boronic Acids > 870778-99-7
870778-99-7 | (3-((2-Chlorobenzyl)oxy)-2,6-difluorophenyl)boronic acid
CAS No: 870778-99-7 Catalog No: AG003G40 MDL No:MFCD08276771
Product Description
Catalog Number:
AG003G40
Chemical Name:
(3-((2-Chlorobenzyl)oxy)-2,6-difluorophenyl)boronic acid
CAS Number:
870778-99-7
Molecular Formula:
C13H10BClF2O3
Molecular Weight:
298.4775
MDL Number:
MFCD08276771
IUPAC Name:
[3-[(2-chlorophenyl)methoxy]-2,6-difluorophenyl]boronic acid
InChI:
InChI=1S/C13H10BClF2O3/c15-9-4-2-1-3-8(9)7-20-11-6-5-10(16)12(13(11)17)14(18)19/h1-6,18-19H,7H2
InChI Key:
VJXYERSPXBFRTA-UHFFFAOYSA-N
SMILES:
Clc1ccccc1COc1ccc(c(c1F)B(O)O)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.477g/mol
Monoisotopic Mass:
298.038g/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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