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Home > Boronic Acids > 156635-89-1
156635-89-1 | Boronic acid, [2,6-difluoro-4-(phenylmethoxy)phenyl]- (9CI)
CAS No: 156635-89-1 Catalog No: AG001OVA MDL No:MFCD12026734
Product Description
Catalog Number:
AG001OVA
Chemical Name:
Boronic acid, [2,6-difluoro-4-(phenylmethoxy)phenyl]- (9CI)
CAS Number:
156635-89-1
Molecular Formula:
C13H11BF2O3
Molecular Weight:
264.0324
MDL Number:
MFCD12026734
IUPAC Name:
(2,6-difluoro-4-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H11BF2O3/c15-11-6-10(7-12(16)13(11)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key:
CDIXTACVWOYKES-UHFFFAOYSA-N
SMILES:
OB(c1c(F)cc(cc1F)OCc1ccccc1)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.035g/mol
Monoisotopic Mass:
264.077g/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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