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Home > Boronic Acids > 851756-54-2
851756-54-2 | (2,6-Dichloro-3-methylphenyl);boronic acid
CAS No: 851756-54-2 Catalog No: AG003G2P MDL No:MFCD09800875
Product Description
Catalog Number:
AG003G2P
Chemical Name:
(2,6-Dichloro-3-methylphenyl);boronic acid
CAS Number:
851756-54-2
Molecular Formula:
C7H7BCl2O2
Molecular Weight:
204.8463
MDL Number:
MFCD09800875
IUPAC Name:
(2,6-dichloro-3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BCl2O2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
QRWVEDFFDGYSPO-UHFFFAOYSA-N
SMILES:
OB(c1c(Cl)ccc(c1Cl)C)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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