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Home > Boronic Acids > 1256360-48-1
1256360-48-1 | Cyclopropanecarbonitrile, 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 1256360-48-1 Catalog No: AG000O8J MDL No:MFCD18087729
Product Description
Catalog Number:
AG000O8J
Chemical Name:
Cyclopropanecarbonitrile, 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
1256360-48-1
Molecular Formula:
C16H19BClNO2
Molecular Weight:
303.5916
MDL Number:
MFCD18087729
IUPAC Name:
1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile
InChI:
InChI=1S/C16H19BClNO2/c1-14(2)15(3,4)21-17(20-14)12-7-11(8-13(18)9-12)16(10-19)5-6-16/h7-9H,5-6H2,1-4H3
InChI Key:
HIBAVNIZBCSVPA-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1cc(cc(c1)Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.593g/mol
Monoisotopic Mass:
303.12g/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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