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Home > Boronic Acids > 850568-16-0
850568-16-0 | (4-((2-Cyanoethyl);carbamoyl);phenyl);boronic acid
CAS No: 850568-16-0 Catalog No: AG004Z7S MDL No:MFCD04115669
Product Description
Catalog Number:
AG004Z7S
Chemical Name:
(4-((2-Cyanoethyl);carbamoyl);phenyl);boronic acid
CAS Number:
850568-16-0
Molecular Formula:
C10H11BN2O3
Molecular Weight:
218.0169
MDL Number:
MFCD04115669
IUPAC Name:
[4-(2-cyanoethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BN2O3/c12-6-1-7-13-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,15-16H,1,7H2,(H,13,14)
InChI Key:
QIZJQVHZGULPAE-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NCCC#N)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.019g/mol
Monoisotopic Mass:
218.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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