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Home > Boronic Acids > 161950-10-3
161950-10-3 | Boronic acid, B-(4-chloro-3-methylphenyl)-
CAS No: 161950-10-3 Catalog No: AG001SJ7 MDL No:MFCD02683104
Product Description
Catalog Number:
AG001SJ7
Chemical Name:
Boronic acid, B-(4-chloro-3-methylphenyl)-
CAS Number:
161950-10-3
Molecular Formula:
C7H8BClO2
Molecular Weight:
170.4012
MDL Number:
MFCD02683104
IUPAC Name:
(4-chloro-3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BClO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3
InChI Key:
UZDPQDBLCJDUAX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C)Cl)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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