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Home > Boronic Acids > 1310403-90-7
1310403-90-7 | Boronic acid, B-[5-bromo-2-chloro-3-(trifluoromethyl)phenyl]-
CAS No: 1310403-90-7 Catalog No: AG000VED MDL No:MFCD12026739
Product Description
Catalog Number:
AG000VED
Chemical Name:
Boronic acid, B-[5-bromo-2-chloro-3-(trifluoromethyl)phenyl]-
CAS Number:
1310403-90-7
Molecular Formula:
C7H4BBrClF3O2
Molecular Weight:
303.2687
MDL Number:
MFCD12026739
IUPAC Name:
[5-bromo-2-chloro-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H4BBrClF3O2/c9-3-1-4(7(11,12)13)6(10)5(2-3)8(14)15/h1-2,14-15H
InChI Key:
PAQZALHPMXHSTK-UHFFFAOYSA-N
SMILES:
Brc1cc(B(O)O)c(c(c1)C(F)(F)F)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.913g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.266g/mol
Monoisotopic Mass:
301.913g/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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