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Home > Boronic Acids > 1072946-34-9
1072946-34-9 | (3,4,5-Trichloro-2-methylphenyl)boronic acid
CAS No: 1072946-34-9 Catalog No: AG003IEC MDL No:MFCD11053802
Product Description
Catalog Number:
AG003IEC
Chemical Name:
(3,4,5-Trichloro-2-methylphenyl)boronic acid
CAS Number:
1072946-34-9
Molecular Formula:
C7H6BCl3O2
Molecular Weight:
239.2913
MDL Number:
MFCD11053802
IUPAC Name:
(3,4,5-trichloro-2-methylphenyl)boronic acid
InChI:
InChI=1S/C7H6BCl3O2/c1-3-4(8(12)13)2-5(9)7(11)6(3)10/h2,12-13H,1H3
InChI Key:
NEKATBSATBTEKT-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(c(c1C)Cl)Cl)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.283g/mol
Monoisotopic Mass:
237.953g/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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