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Home > Boronic Acids > 1072946-33-8
1072946-33-8 | 5-Chloro-2-methyl-4-(trifluoromethyl)phenylboronic acid
CAS No: 1072946-33-8 Catalog No: AG003MNC MDL No:MFCD11053801
Product Description
Catalog Number:
AG003MNC
Chemical Name:
5-Chloro-2-methyl-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1072946-33-8
Molecular Formula:
C8H7BClF3O2
Molecular Weight:
238.3992
MDL Number:
MFCD11053801
IUPAC Name:
[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H7BClF3O2/c1-4-2-5(8(11,12)13)7(10)3-6(4)9(14)15/h2-3,14-15H,1H3
InChI Key:
WIXOOBHBVKOORA-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(cc1C)C(F)(F)F)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.397g/mol
Monoisotopic Mass:
238.018g/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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