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Home > Boronic Acids > 1793003-76-5
1793003-76-5 | 3-(Cyclopropylmethoxy)-4-(trifluoromethoxy)phenylboronic acid
CAS No: 1793003-76-5 Catalog No: AG00HZXZ MDL No:MFCD21332937
Product Description
Catalog Number:
AG00HZXZ
Chemical Name:
3-(Cyclopropylmethoxy)-4-(trifluoromethoxy)phenylboronic acid
CAS Number:
1793003-76-5
Molecular Formula:
C11H12BF3O4
Molecular Weight:
276.0168
MDL Number:
MFCD21332937
IUPAC Name:
[3-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H12BF3O4/c13-11(14,15)19-9-4-3-8(12(16)17)5-10(9)18-6-7-1-2-7/h3-5,7,16-17H,1-2,6H2
InChI Key:
URWSCFHZPDJHPY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)OCC1CC1)OC(F)(F)F)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.018g/mol
Monoisotopic Mass:
276.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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