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Home > Boronic Acids > 172512-93-5
172512-93-5 | 4-cyano-trans-beta-styrylboronic acid pinacol ester
CAS No: 172512-93-5 Catalog No: AG00ABR2 MDL No:MFCD19703873
Product Description
Catalog Number:
AG00ABR2
Chemical Name:
4-cyano-trans-beta-styrylboronic acid pinacol ester
CAS Number:
172512-93-5
Molecular Formula:
C15H18BNO2
Molecular Weight:
255.1199
MDL Number:
MFCD19703873
IUPAC Name:
4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzonitrile
InChI:
InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)10-9-12-5-7-13(11-17)8-6-12/h5-10H,1-4H3/b10-9+
InChI Key:
PTVXZOZMWVSOOR-MDZDMXLPSA-N
SMILES:
N#Cc1ccc(cc1)/C=C/B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
255.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.124g/mol
Monoisotopic Mass:
255.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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