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Home > Boronic Acids > 913836-14-3
913836-14-3 | (3-Chloro-5-methylphenyl);boronic acid
CAS No: 913836-14-3 Catalog No: AG006BHK MDL No:MFCD09027241
Product Description
Catalog Number:
AG006BHK
Chemical Name:
(3-Chloro-5-methylphenyl);boronic acid
CAS Number:
913836-14-3
Molecular Formula:
C7H8BClO2
Molecular Weight:
170.4012
MDL Number:
MFCD09027241
IUPAC Name:
(3-chloro-5-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BClO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
InChI Key:
QXHLBINWDJITMJ-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)cc(c1)B(O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.399g/mol
Monoisotopic Mass:
170.031g/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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