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Home > Boronic Acids > 263368-72-5
263368-72-5 | Boronic acid, B-(4-ethynylphenyl)-
CAS No: 263368-72-5 Catalog No: AG002SSK MDL No:MFCD08689553
Product Description
Catalog Number:
AG002SSK
Chemical Name:
Boronic acid, B-(4-ethynylphenyl)-
CAS Number:
263368-72-5
Molecular Formula:
C8H7BO2
Molecular Weight:
145.9510
MDL Number:
MFCD08689553
IUPAC Name:
(4-ethynylphenyl)boronic acid
InChI:
InChI=1S/C8H7BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6,10-11H
InChI Key:
RRRYTONNYRBSRP-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)B(O)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.952g/mol
Monoisotopic Mass:
146.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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