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480438-59-3

480438-59-3 | (4-Fluoro-2-isopropoxyphenyl)boronic acid

CAS No: 480438-59-3 Catalog No: AG006Y4D MDL No:MFCD06411287

Product Description

Catalog Number:
AG006Y4D
Chemical Name:
(4-Fluoro-2-isopropoxyphenyl)boronic acid
CAS Number:
480438-59-3
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD06411287
IUPAC Name:
(4-fluoro-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BFO3/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6,12-13H,1-2H3
InChI Key:
RSEFJQODCQCGRB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1OC(C)C)F)O

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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