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Home > Boronic Acids > 1887240-36-9
1887240-36-9 | 2,6-Dichloro-4-(trifluoromethyl)phenylboronic acid
CAS No: 1887240-36-9 Catalog No: AG00I2RB MDL No:MFCD27935761
Product Description
Catalog Number:
AG00I2RB
Chemical Name:
2,6-Dichloro-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1887240-36-9
Molecular Formula:
C7H4BCl2F3O2
Molecular Weight:
258.8177
MDL Number:
MFCD27935761
IUPAC Name:
[2,6-dichloro-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H4BCl2F3O2/c9-4-1-3(7(11,12)13)2-5(10)6(4)8(14)15/h1-2,14-15H
InChI Key:
UWHPSRANHQGNHM-UHFFFAOYSA-N
SMILES:
OB(c1c(Cl)cc(cc1Cl)C(F)(F)F)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.963g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.812g/mol
Monoisotopic Mass:
257.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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