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1184850-50-7 | [4-(heptafluoropropan-2-yl)phenyl]boronic acid
CAS No: 1184850-50-7 Catalog No: AG01C3RF MDL No:MFCD29906848
Product Description
Catalog Number:
AG01C3RF
Chemical Name:
[4-(heptafluoropropan-2-yl)phenyl]boronic acid
CAS Number:
1184850-50-7
Molecular Formula:
C9H6BF7O2
Molecular Weight:
289.9426
MDL Number:
MFCD29906848
IUPAC Name:
[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C9H6BF7O2/c11-7(8(12,13)14,9(15,16)17)5-1-3-6(4-2-5)10(18)19/h1-4,18-19H
InChI Key:
YOOCRETZGVJDBF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)F)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.944g/mol
Monoisotopic Mass:
290.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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