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Home > Boronic Acids > 844501-78-6

844501-78-6

844501-78-6 | Acetamide,N-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

CAS No: 844501-78-6 Catalog No: AG00IDDL MDL No:MFCD22494239

Product Description

Catalog Number:
AG00IDDL
Chemical Name:
Acetamide,N-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
844501-78-6
Molecular Formula:
C14H19BClNO3
Molecular Weight:
295.5696
MDL Number:
MFCD22494239
IUPAC Name:
N-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C14H19BClNO3/c1-9(18)17-10-6-7-11(12(16)8-10)15-19-13(2,3)14(4,5)20-15/h6-8H,1-5H3,(H,17,18)
InChI Key:
UWLRINVGWAKIKC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)Cl)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.115g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.57g/mol
Monoisotopic Mass:
295.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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