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Home > Boronic Acids > 902757-07-7
902757-07-7 | Boronic acid, [4-chloro-3-(trifluoromethoxy)phenyl]-
CAS No: 902757-07-7 Catalog No: AG00IG2B MDL No:MFCD11040273
Product Description
Catalog Number:
AG00IG2B
Chemical Name:
Boronic acid, [4-chloro-3-(trifluoromethoxy)phenyl]-
CAS Number:
902757-07-7
Molecular Formula:
C7H5BClF3O3
Molecular Weight:
240.3720
MDL Number:
MFCD11040273
IUPAC Name:
[4-chloro-3-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H5BClF3O3/c9-5-2-1-4(8(13)14)3-6(5)15-7(10,11)12/h1-3,13-14H
InChI Key:
ZTIWEYMDQDWLHC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1OC(F)(F)F)B(O)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.369g/mol
Monoisotopic Mass:
239.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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