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Home > Boronic Acids > 1427588-44-0
1427588-44-0 | 8-Chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-3,4-dihydroquinolin-2(1H);-one
CAS No: 1427588-44-0 Catalog No: AG00HWMO MDL No:MFCD22415245
Product Description
Catalog Number:
AG00HWMO
Chemical Name:
8-Chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-3,4-dihydroquinolin-2(1H);-one
CAS Number:
1427588-44-0
Molecular Formula:
C16H21BClNO3
Molecular Weight:
321.6068
MDL Number:
MFCD22415245
IUPAC Name:
8-chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
InChI:
InChI=1S/C16H21BClNO3/c1-15(2)16(3,4)22-17(21-15)11-8-10-6-7-13(20)19(5)14(10)12(18)9-11/h8-9H,6-7H2,1-5H3
InChI Key:
MKYZPVTYDATXLW-UHFFFAOYSA-N
SMILES:
Clc1cc(cc2c1N(C)C(=O)CC2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.608g/mol
Monoisotopic Mass:
321.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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