Home Halogens 1-(2-(2-chloro-3-methyl-4-(4,4,5,5-tetramethyl

1-(2-(2-chloro-3-methyl-4-(4,4,5,5-tetramethyl

CAS No.:
1799612-11-5
Catalog Number:
AG00ATFR
Molecular Formula:
C20H32BClN2O3
Molecular Weight:
394.7437
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Product Description
Catalog Number:
AG00ATFR
Chemical Name:
1-(2-(2-chloro-3-methyl-4-(4,4,5,5-tetramethyl
CAS Number:
1799612-11-5
Molecular Formula:
C20H32BClN2O3
Molecular Weight:
394.7437
MDL Number:
MFCD30728469
IUPAC Name:
1-[2-[2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-4-methylpiperazine
InChI:
InChI=1S/C20H32BClN2O3/c1-15-16(21-26-19(2,3)20(4,5)27-21)7-8-17(18(15)22)25-14-13-24-11-9-23(6)10-12-24/h7-8H,9-14H2,1-6H3
InChI Key:
HMIDDRQTTOXSEY-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCOc1ccc(c(c1Cl)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.219g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.747g/mol
Monoisotopic Mass:
394.219g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties