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Home > Boronic Acids > 958451-75-7
958451-75-7 | 2-DIFLUOROMETHOXY-5-METHYL-BENZENEBORONIC ACID
CAS No: 958451-75-7 Catalog No: AG006ARW MDL No:
Product Description
Catalog Number:
AG006ARW
Chemical Name:
2-DIFLUOROMETHOXY-5-METHYL-BENZENEBORONIC ACID
CAS Number:
958451-75-7
Molecular Formula:
C8H9BF2O3
Molecular Weight:
201.9631
IUPAC Name:
[2-(difluoromethoxy)-5-methylphenyl]boronic acid
InChI:
InChI=1S/C8H9BF2O3/c1-5-2-3-7(14-8(10)11)6(4-5)9(12)13/h2-4,8,12-13H,1H3
InChI Key:
BTZKEKXMBGFJMH-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1B(O)O)C)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.964g/mol
Monoisotopic Mass:
202.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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