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Home > Boronic Acids > 208641-98-9
208641-98-9 | Boronic acid, B-(3,5-difluoro-4-methoxyphenyl)-
CAS No: 208641-98-9 Catalog No: AG002JT1 MDL No:MFCD08706257
Product Description
Catalog Number:
AG002JT1
Chemical Name:
Boronic acid, B-(3,5-difluoro-4-methoxyphenyl)-
CAS Number:
208641-98-9
Molecular Formula:
C7H7BF2O3
Molecular Weight:
187.9365
MDL Number:
MFCD08706257
IUPAC Name:
(3,5-difluoro-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BF2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3
InChI Key:
JJRIEFCRGWHLES-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(cc1F)B(O)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.937g/mol
Monoisotopic Mass:
188.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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