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Home > Boronic Acids > 1150114-32-1
1150114-32-1 | Benzoic acid, 2-borono-6-(trifluoromethyl)-, 1-methyl ester
CAS No: 1150114-32-1 Catalog No: AG000FLR MDL No:MFCD12025963
Product Description
Catalog Number:
AG000FLR
Chemical Name:
Benzoic acid, 2-borono-6-(trifluoromethyl)-, 1-methyl ester
CAS Number:
1150114-32-1
Molecular Formula:
C9H8BF3O4
Molecular Weight:
247.9636
MDL Number:
MFCD12025963
IUPAC Name:
[2-methoxycarbonyl-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H8BF3O4/c1-17-8(14)7-5(9(11,12)13)3-2-4-6(7)10(15)16/h2-4,15-16H,1H3
InChI Key:
QYLNVMDKWLXRDV-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cccc1C(F)(F)F)B(O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.964g/mol
Monoisotopic Mass:
248.047g/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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