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Home > Boronic Acids > 176976-42-4
176976-42-4 | Boronic acid, B-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS No: 176976-42-4 Catalog No: AG00250R MDL No:MFCD03094999
Product Description
Catalog Number:
AG00250R
Chemical Name:
Boronic acid, B-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS Number:
176976-42-4
Molecular Formula:
C7H5BClF3O2
Molecular Weight:
224.3726
MDL Number:
MFCD03094999
IUPAC Name:
[4-chloro-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BClF3O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H
InChI Key:
XHKNQBNGLMOTDB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(F)(F)F)Cl)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.37g/mol
Monoisotopic Mass:
224.002g/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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