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Home > Boronic Acids > 156487-13-7

156487-13-7

156487-13-7 | Boronic acid, B-(4-butoxy-3-fluorophenyl)-

CAS No: 156487-13-7 Catalog No: AG001OR5 MDL No:MFCD06411286

Product Description

Catalog Number:
AG001OR5
Chemical Name:
Boronic acid, B-(4-butoxy-3-fluorophenyl)-
CAS Number:
156487-13-7
Molecular Formula:
C10H14BFO3
Molecular Weight:
212.0258
MDL Number:
MFCD06411286
IUPAC Name:
(4-butoxy-3-fluorophenyl)boronic acid
InChI:
InChI=1S/C10H14BFO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,13-14H,2-3,6H2,1H3
InChI Key:
JVHCUZXLXOUYHX-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1F)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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