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Home > Boronic Acids > 957035-17-5
957035-17-5 | (3,4-Dichloro-2-methylphenyl);boronic acid
CAS No: 957035-17-5 Catalog No: AG006BSI MDL No:MFCD09475873
Product Description
Catalog Number:
AG006BSI
Chemical Name:
(3,4-Dichloro-2-methylphenyl);boronic acid
CAS Number:
957035-17-5
Molecular Formula:
C7H7BCl2O2
Molecular Weight:
204.8463
MDL Number:
MFCD09475873
IUPAC Name:
(3,4-dichloro-2-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BCl2O2/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3,11-12H,1H3
InChI Key:
FQMLZXAQSIOVFD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1C)Cl)Cl)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.841g/mol
Monoisotopic Mass:
203.992g/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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