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1704069-49-7

1704069-49-7 | 2,2,2-trifluoroacetic acid coMpound with (4-(1-(piperazin-1-yl)ethyl)phenyl)boronic acid (1

CAS No: 1704069-49-7 Catalog No: AG00ARKK MDL No:MFCD28384347

Product Description

Catalog Number:
AG00ARKK
Chemical Name:
2,2,2-trifluoroacetic acid coMpound with (4-(1-(piperazin-1-yl)ethyl)phenyl)boronic acid (1
CAS Number:
1704069-49-7
MDL Number:
MFCD28384347
IUPAC Name:
[4-(1-piperazin-1-ylethyl)phenyl]boronic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C12H19BN2O2.C2HF3O2/c1-10(15-8-6-14-7-9-15)11-2-4-12(5-3-11)13(16)17;3-2(4,5)1(6)7/h2-5,10,14,16-17H,6-9H2,1H3;(H,6,7)
InChI Key:
IKJQWXQYNQQZAK-UHFFFAOYSA-N

Properties

Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.147g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
348.129g/mol
Monoisotopic Mass:
348.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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