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Home > Boronic Acids > 1186422-20-7
1186422-20-7 | 4-Acetamido-2-cyanophenylboronic acid
CAS No: 1186422-20-7 Catalog No: AG00HEOL MDL No:
Product Description
Catalog Number:
AG00HEOL
Chemical Name:
4-Acetamido-2-cyanophenylboronic acid
CAS Number:
1186422-20-7
IUPAC Name:
(4-acetamido-2-cyanophenyl)boronic acid
InChI:
InChI=1S/C9H9BN2O3/c1-6(13)12-8-2-3-9(10(14)15)7(4-8)5-11/h2-4,14-15H,1H3,(H,12,13)
InChI Key:
SMWLJCBYLSDXPS-UHFFFAOYSA-N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
203.992g/mol
Monoisotopic Mass:
204.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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