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Home > Boronic Acids > 503309-11-3

503309-11-3

503309-11-3 | Boronic acid, [2-fluoro-4-(trifluoromethyl)phenyl]-

CAS No: 503309-11-3 Catalog No: AG00I916 MDL No:MFCD03094995

Product Description

Catalog Number:
AG00I916
Chemical Name:
Boronic acid, [2-fluoro-4-(trifluoromethyl)phenyl]-
CAS Number:
503309-11-3
Molecular Formula:
C7H5BF4O2
Molecular Weight:
207.9180
MDL Number:
MFCD03094995
IUPAC Name:
[2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BF4O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key:
SSFSVKVWAURAAM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1F)C(F)(F)F)O

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.919g/mol
Monoisotopic Mass:
208.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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