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Home > Boronic Acids > 865869-30-3
865869-30-3 | Boronic acid, [4-(trifluoromethyl)-1-cyclohexen-1-yl]-
CAS No: 865869-30-3 Catalog No: AG00IE4U MDL No:MFCD18383329
Product Description
Catalog Number:
AG00IE4U
Chemical Name:
Boronic acid, [4-(trifluoromethyl)-1-cyclohexen-1-yl]-
CAS Number:
865869-30-3
Molecular Formula:
C7H10BF3O2
Molecular Weight:
193.9593
MDL Number:
MFCD18383329
IUPAC Name:
[4-(trifluoromethyl)cyclohexen-1-yl]boronic acid
InChI:
InChI=1S/C7H10BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h3,5,12-13H,1-2,4H2
InChI Key:
OCRVNCZKQNGCQI-UHFFFAOYSA-N
SMILES:
OB(C1=CCC(CC1)C(F)(F)F)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.96g/mol
Monoisotopic Mass:
194.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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