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Home > Boronic Acids > 1190989-12-8
1190989-12-8 | Benzoic acid, 3-borono-2,6-difluoro-, 1-methyl ester
CAS No: 1190989-12-8 Catalog No: AG000I6A MDL No:MFCD16295260
Product Description
Catalog Number:
AG000I6A
Chemical Name:
Benzoic acid, 3-borono-2,6-difluoro-, 1-methyl ester
CAS Number:
1190989-12-8
Molecular Formula:
C8H7BF2O4
Molecular Weight:
215.9466
MDL Number:
MFCD16295260
IUPAC Name:
(2,4-difluoro-3-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H7BF2O4/c1-15-8(12)6-5(10)3-2-4(7(6)11)9(13)14/h2-3,13-14H,1H3
InChI Key:
DAXRETVCZVZSNS-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccc(c1F)B(O)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.947g/mol
Monoisotopic Mass:
216.041g/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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