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Home > Boronic Acids > 918331-73-4

918331-73-4

918331-73-4 | Benzoic acid, 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 918331-73-4 Catalog No: AG006GCH MDL No:MFCD18837624

Product Description

Catalog Number:
AG006GCH
Chemical Name:
Benzoic acid, 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
918331-73-4
Molecular Formula:
C13H16BClO4
Molecular Weight:
282.5277
MDL Number:
MFCD18837624
IUPAC Name:
4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)9-7-8(11(16)17)5-6-10(9)15/h5-7H,1-4H3,(H,16,17)
InChI Key:
MRHDRTNQFRBXFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.527g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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