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Home > Boronic Acids > 1218790-40-9
1218790-40-9 | 1H-Pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
CAS No: 1218790-40-9 Catalog No: AG00168N MDL No:MFCD11501039
Product Description
Catalog Number:
AG00168N
Chemical Name:
1H-Pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
CAS Number:
1218790-40-9
Molecular Formula:
C10H14BF3N2O2
Molecular Weight:
262.0366
MDL Number:
MFCD11501039
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)
InChI Key:
WHYPQJYBTNZKBY-UHFFFAOYSA-N
SMILES:
FC(c1n[nH]cc1B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.039g/mol
Monoisotopic Mass:
262.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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