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Home > Boronic Acids > 1839033-28-1
1839033-28-1 | 3-[(E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]aniline
CAS No: 1839033-28-1 Catalog No: AG01EM8S MDL No:MFCD31616058
Product Description
Catalog Number:
AG01EM8S
Chemical Name:
3-[(E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]aniline
CAS Number:
1839033-28-1
Molecular Formula:
C14H20BNO2
Molecular Weight:
245.1251
MDL Number:
MFCD31616058
IUPAC Name:
3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]aniline
InChI:
InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)9-8-11-6-5-7-12(16)10-11/h5-10H,16H2,1-4H3/b9-8+
InChI Key:
JXBMNXGLSSARJS-CMDGGOBGSA-N
SMILES:
Nc1cccc(c1)/C=C/B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
245.159g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.129g/mol
Monoisotopic Mass:
245.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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