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Home > Boronic Acids > 1217500-75-8
1217500-75-8 | Benzoic acid, 2-borono-4-(trifluoromethoxy)-, 1-methyl ester
CAS No: 1217500-75-8 Catalog No: AG0015QX MDL No:MFCD12025990
Product Description
Catalog Number:
AG0015QX
Chemical Name:
Benzoic acid, 2-borono-4-(trifluoromethoxy)-, 1-methyl ester
CAS Number:
1217500-75-8
Molecular Formula:
C9H8BF3O5
Molecular Weight:
263.9630
MDL Number:
MFCD12025990
IUPAC Name:
[2-methoxycarbonyl-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H8BF3O5/c1-17-8(14)6-3-2-5(18-9(11,12)13)4-7(6)10(15)16/h2-4,15-16H,1H3
InChI Key:
ZABYKLZZNFPGSV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1B(O)O)OC(F)(F)F
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.963g/mol
Monoisotopic Mass:
264.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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