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Home > Boronic Acids > 855230-63-6

855230-63-6

855230-63-6 | (2-Fluoro-3-isopropoxyphenyl)boronic acid

CAS No: 855230-63-6 Catalog No: AG003H8R MDL No:MFCD11504844

Product Description

Catalog Number:
AG003H8R
Chemical Name:
(2-Fluoro-3-isopropoxyphenyl)boronic acid
CAS Number:
855230-63-6
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD11504844
IUPAC Name:
(2-fluoro-3-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BFO3/c1-6(2)14-8-5-3-4-7(9(8)11)10(12)13/h3-6,12-13H,1-2H3
InChI Key:
CHXPLNUWFRHWDD-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1F)B(O)O)C

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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