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Home > Boronic Acids > 1310383-91-5
1310383-91-5 | Boronic acid, B-[3-formyl-4-(trifluoromethoxy)phenyl]-
CAS No: 1310383-91-5 Catalog No: AG000VE3 MDL No:MFCD11617264
Product Description
Catalog Number:
AG000VE3
Chemical Name:
Boronic acid, B-[3-formyl-4-(trifluoromethoxy)phenyl]-
CAS Number:
1310383-91-5
Molecular Formula:
C8H6BF3O4
Molecular Weight:
233.9370
MDL Number:
MFCD11617264
IUPAC Name:
[3-formyl-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H6BF3O4/c10-8(11,12)16-7-2-1-6(9(14)15)3-5(7)4-13/h1-4,14-15H
InChI Key:
NMDBNGRHYCPTCY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC(F)(F)F)B(O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.937g/mol
Monoisotopic Mass:
234.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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