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Home > Boronic Acids > 871126-25-9
871126-25-9 | (3-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenyl)boronic acid
CAS No: 871126-25-9 Catalog No: AG003HYU MDL No:MFCD07784395
Product Description
Catalog Number:
AG003HYU
Chemical Name:
(3-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenyl)boronic acid
CAS Number:
871126-25-9
Molecular Formula:
C14H11BClF3O3
Molecular Weight:
330.4945
MDL Number:
MFCD07784395
IUPAC Name:
[3-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H11BClF3O3/c16-12-5-4-10(14(17,18)19)7-13(12)22-8-9-2-1-3-11(6-9)15(20)21/h1-7,20-21H,8H2
InChI Key:
IRBNKOHBJCGIFU-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COc1cc(ccc1Cl)C(F)(F)F)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.494g/mol
Monoisotopic Mass:
330.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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