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Home > Boronic Acids > 1793003-66-3

1793003-66-3

1793003-66-3 | 3-(Cyclopentyloxy)-2-fluoro-4-methoxyphenylboronic acid

CAS No: 1793003-66-3 Catalog No: AG00HZXX MDL No:MFCD20231445

Product Description

Catalog Number:
AG00HZXX
Chemical Name:
3-(Cyclopentyloxy)-2-fluoro-4-methoxyphenylboronic acid
CAS Number:
1793003-66-3
Molecular Formula:
C12H16BFO4
Molecular Weight:
254.0624
MDL Number:
MFCD20231445
IUPAC Name:
(3-cyclopentyloxy-2-fluoro-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C12H16BFO4/c1-17-10-7-6-9(13(15)16)11(14)12(10)18-8-4-2-3-5-8/h6-8,15-16H,2-5H2,1H3
InChI Key:
JHJNVXNRARWEBL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC1CCCC1)F)B(O)O

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.113g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.064g/mol
Monoisotopic Mass:
254.113g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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