Home Boronic Acids 1000994-94-4
1000994-94-4,MFCD13186728
Catalog No.:AA0000U7
1000994-94-4 | 1,3,2-Dioxaborolane, 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-
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1g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000U7
Chemical Name:
1,3,2-Dioxaborolane, 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-
CAS Number:
1000994-94-4
Molecular Formula:
C14H19BF2O2
Molecular Weight:
268.1073
MDL Number:
MFCD13186728
IUPAC Name:
2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H19BF2O2/c1-12(2)13(3,4)19-15(18-12)11-8-6-10(7-9-11)14(5,16)17/h6-9H,1-5H3
InChI Key:
ZEIACFZGYHZGTL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)C(F)(F)C
Properties
Computed Properties
 
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.145g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.111g/mol
Monoisotopic Mass:
268.145g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1000994-94-4 
1,3,2-Dioxaborolane, 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl- 
ZEIACFZGYHZGTL-UHFFFAOYSA-N 
5012AJ 
MFCD13186728 
AKOS005063611 
ZINC198023781 
CS-11608 
SY026390 
TC-062571 
FT-0715020 
MFCD13186728 (95%) 
4-(1,1-Difluoroethyl)phenylboronic Acid Pinacol Ester 
4-(1,1-Difluoroethyl)phenylboronicAcidPinacolEster 
A16147 
(4-(1,1-Difluoroethyl)phenyl)boronic acid pinacol ester 
2-(4-(1,1-Difluoroethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
SCHEMBL12630073 
C14H19BF2O2 
CTK8D3612 
KS-00000AUD 
DTXSID00676421 
Literature
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