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Home > Boronic Acids > 1310384-20-3
1310384-20-3 | 3-Cyclohexene-1-carbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1310384-20-3 Catalog No: AG000VDR MDL No:MFCD12025482
Product Description
Catalog Number:
AG000VDR
Chemical Name:
3-Cyclohexene-1-carbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1310384-20-3
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD12025482
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonitrile
InChI:
InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h7,10H,5-6,8H2,1-4H3
InChI Key:
DHWWMTKTHOKXPV-UHFFFAOYSA-N
SMILES:
N#CC1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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