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Home > Boronic Acids > 959997-88-7
959997-88-7 | (2-Bromo-4-(trifluoromethyl)phenyl)boronic acid
CAS No: 959997-88-7 Catalog No: AG003BLR MDL No:MFCD08532500
Product Description
Catalog Number:
AG003BLR
Chemical Name:
(2-Bromo-4-(trifluoromethyl)phenyl)boronic acid
CAS Number:
959997-88-7
Molecular Formula:
C7H5BBrF3O2
Molecular Weight:
268.8236
MDL Number:
MFCD08532500
IUPAC Name:
[2-bromo-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BBrF3O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key:
WMKPVTIMXOLNHA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1Br)C(F)(F)F)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.952g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.824g/mol
Monoisotopic Mass:
267.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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