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Home > Boronic Acids > 1186334-80-4
1186334-80-4 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole
CAS No: 1186334-80-4 Catalog No: AG00HEO5 MDL No:MFCD27993180
Product Description
Catalog Number:
AG00HEO5
Chemical Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole
CAS Number:
1186334-80-4
Molecular Formula:
C14H16BF3N2O2
Molecular Weight:
312.0952
MDL Number:
MFCD27993180
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole
InChI:
InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)10-6-5-9(14(16,17)18)11-8(10)7-19-20-11/h5-7H,1-4H3,(H,19,20)
InChI Key:
GRPZTCCRPPNGAZ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(c2c1cn[nH]2)C(F)(F)F
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.099g/mol
Monoisotopic Mass:
312.126g/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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