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Home > Boronic Acids > 1256345-83-1
1256345-83-1 | Benzeneacetic acid, 4-borono-α,α-difluoro-, 1-ethyl ester
CAS No: 1256345-83-1 Catalog No: AG000O0W MDL No:MFCD16295058
Product Description
Catalog Number:
AG000O0W
Chemical Name:
Benzeneacetic acid, 4-borono-α,α-difluoro-, 1-ethyl ester
CAS Number:
1256345-83-1
Molecular Formula:
C10H11BF2O4
Molecular Weight:
243.9997
MDL Number:
MFCD16295058
IUPAC Name:
[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BF2O4/c1-2-17-9(14)10(12,13)7-3-5-8(6-4-7)11(15)16/h3-6,15-16H,2H2,1H3
InChI Key:
KCHICHVWFDSXLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)B(O)O)(F)F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.001g/mol
Monoisotopic Mass:
244.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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