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121219-20-3

121219-20-3 | 2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID

CAS No: 121219-20-3 Catalog No: AG009ATY MDL No:MFCD06656273

Product Description

Catalog Number:
AG009ATY
Chemical Name:
2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID
CAS Number:
121219-20-3
Molecular Formula:
C12H17BF2O3
Molecular Weight:
258.0694
MDL Number:
MFCD06656273
IUPAC Name:
(2,3-difluoro-4-hexoxyphenyl)boronic acid
InChI:
InChI=1S/C12H17BF2O3/c1-2-3-4-5-8-18-10-7-6-9(13(16)17)11(14)12(10)15/h6-7,16-17H,2-5,8H2,1H3
InChI Key:
RCHOIHOUIPPIJY-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(c(c1F)F)B(O)O

Properties

Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.124g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.072g/mol
Monoisotopic Mass:
258.124g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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