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Home > Boronic Acids > 480424-67-7
480424-67-7 | [2-(3,5-difluorophenyl)ethenyl]boronic acid
CAS No: 480424-67-7 Catalog No: AG01A0FL MDL No:MFCD06202552
Product Description
Catalog Number:
AG01A0FL
Chemical Name:
[2-(3,5-difluorophenyl)ethenyl]boronic acid
CAS Number:
480424-67-7
Molecular Formula:
C8H7BF2O2
Molecular Weight:
183.9478
MDL Number:
MFCD06202552
IUPAC Name:
2-(3,5-difluorophenyl)ethenylboronic acid
InChI:
InChI=1S/C8H7BF2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5,12-13H
InChI Key:
KEDVTCOCHDTFRT-UHFFFAOYSA-N
SMILES:
OB(C=Cc1cc(F)cc(c1)F)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.949g/mol
Monoisotopic Mass:
184.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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