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1683545-35-8

1683545-35-8 | 4-(Ethoxycarbonyldifluoromethyl)-phenyl-boronic acid pinacol ester

CAS No: 1683545-35-8 Catalog No: AG00ANMC MDL No:MFCD20278276

Product Description

Catalog Number:
AG00ANMC
Chemical Name:
4-(Ethoxycarbonyldifluoromethyl)-phenyl-boronic acid pinacol ester
CAS Number:
1683545-35-8
Molecular Formula:
C16H21BF2O4
Molecular Weight:
326.1433
MDL Number:
MFCD20278276
IUPAC Name:
ethyl 2,2-difluoro-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C16H21BF2O4/c1-6-21-13(20)16(18,19)11-7-9-12(10-8-11)17-22-14(2,3)15(4,5)23-17/h7-10H,6H2,1-5H3
InChI Key:
BLKXMWVVPMNZCZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F

Properties

Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.15g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.147g/mol
Monoisotopic Mass:
326.15g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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