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2096337-95-8

2096337-95-8 | 3-Chloro-4-(pyrrolidinomethyl)phenylboronic acid, pinacol ester

CAS No: 2096337-95-8 Catalog No: AG01EHN1 MDL No:MFCD18783179

Product Description

Catalog Number:
AG01EHN1
Chemical Name:
3-Chloro-4-(pyrrolidinomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096337-95-8
MDL Number:
MFCD18783179
IUPAC Name:
1-[[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
InChI:
InChI=1S/C17H25BClNO2/c1-16(2)17(3,4)22-18(21-16)14-8-7-13(15(19)11-14)12-20-9-5-6-10-20/h7-8,11H,5-6,9-10,12H2,1-4H3
InChI Key:
HDTOISQUJFQIDK-UHFFFAOYSA-N

Properties

Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.167g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.652g/mol
Monoisotopic Mass:
321.167g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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