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Home > Boronic Acids > 876918-84-2
876918-84-2 | Boronic acid, [3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-
CAS No: 876918-84-2 Catalog No: AG01DTTR MDL No:MFCD27931156
Product Description
Catalog Number:
AG01DTTR
Chemical Name:
Boronic acid, [3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-
CAS Number:
876918-84-2
Molecular Formula:
C9H7BF3NO3
Molecular Weight:
244.9630
MDL Number:
MFCD27931156
IUPAC Name:
[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H7BF3NO3/c11-9(12,13)5-17-8-2-1-7(10(15)16)3-6(8)4-14/h1-3,15-16H,5H2
InChI Key:
PUVLGRFFKXGMKS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OCC(F)(F)F)B(O)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.964g/mol
Monoisotopic Mass:
245.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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