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Home > Boronic Acids > 850567-56-5
850567-56-5 | 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);aniline
CAS No: 850567-56-5 Catalog No: AG004SIF MDL No:MFCD06659926
Product Description
Catalog Number:
AG004SIF
Chemical Name:
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);aniline
CAS Number:
850567-56-5
Molecular Formula:
C12H17BClNO2
Molecular Weight:
253.5329
MDL Number:
MFCD06659926
IUPAC Name:
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,15H2,1-4H3
InChI Key:
KHGJUVPQSMKNFA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1N)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.533g/mol
Monoisotopic Mass:
253.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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