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2096331-14-3

2096331-14-3 | 4-Butoxy-2-(trifluoromethyl)phenylboronic acid

CAS No: 2096331-14-3 Catalog No: AG01EHNM MDL No:MFCD19684108

Product Description

Catalog Number:
AG01EHNM
Chemical Name:
4-Butoxy-2-(trifluoromethyl)phenylboronic acid
CAS Number:
2096331-14-3
MDL Number:
MFCD19684108
IUPAC Name:
[4-butoxy-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H14BF3O3/c1-2-3-6-18-8-4-5-10(12(16)17)9(7-8)11(13,14)15/h4-5,7,16-17H,2-3,6H2,1H3
InChI Key:
UXMSSDWRCUPUMP-UHFFFAOYSA-N

Properties

Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.035g/mol
Monoisotopic Mass:
262.099g/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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