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Home > Boronic Acids > 1310384-23-6
1310384-23-6 | Boronic acid, B-(4-fluoro-3-formyl-5-methylphenyl)-
CAS No: 1310384-23-6 Catalog No: AG000VDP MDL No:MFCD11111909
Product Description
Catalog Number:
AG000VDP
Chemical Name:
Boronic acid, B-(4-fluoro-3-formyl-5-methylphenyl)-
CAS Number:
1310384-23-6
Molecular Formula:
C8H8BFO3
Molecular Weight:
181.9567
MDL Number:
MFCD11111909
IUPAC Name:
(4-fluoro-3-formyl-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H8BFO3/c1-5-2-7(9(12)13)3-6(4-11)8(5)10/h2-4,12-13H,1H3
InChI Key:
CYTRJUULLDUDAX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1F)C)B(O)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.957g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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