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Home > Boronic Acids > 1704074-02-1
1704074-02-1 | (3-(3-fluoropropoxy)-4-Methylphenyl)boronic acid
CAS No: 1704074-02-1 Catalog No: AG00AR8Q MDL No:MFCD28384325
Product Description
Catalog Number:
AG00AR8Q
Chemical Name:
(3-(3-fluoropropoxy)-4-Methylphenyl)boronic acid
CAS Number:
1704074-02-1
Molecular Formula:
C10H14BFO3
Molecular Weight:
212.0258
MDL Number:
MFCD28384325
IUPAC Name:
[3-(3-fluoropropoxy)-4-methylphenyl]boronic acid
InChI:
InChI=1S/C10H14BFO3/c1-8-3-4-9(11(13)14)7-10(8)15-6-2-5-12/h3-4,7,13-14H,2,5-6H2,1H3
InChI Key:
DKNBXEFDFLTCEF-UHFFFAOYSA-N
SMILES:
FCCCOc1cc(ccc1C)B(O)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.027g/mol
Monoisotopic Mass:
212.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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