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276669-74-0 | Boronic acid, [3-[(trichloroacetyl)amino]phenyl]- (9CI)
CAS No: 276669-74-0 Catalog No: AG002UD2 MDL No:MFCD08235073
Product Description
Catalog Number:
AG002UD2
Chemical Name:
Boronic acid, [3-[(trichloroacetyl)amino]phenyl]- (9CI)
CAS Number:
276669-74-0
Molecular Formula:
C8H7BCl3NO3
Molecular Weight:
282.3161
MDL Number:
MFCD08235073
IUPAC Name:
[3-[(2,2,2-trichloroacetyl)amino]phenyl]boronic acid
InChI:
InChI=1S/C8H7BCl3NO3/c10-8(11,12)7(14)13-6-3-1-2-5(4-6)9(15)16/h1-4,15-16H,(H,13,14)
InChI Key:
RQEOGMVEBAPFSP-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)Nc1cccc(c1)B(O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.958g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.308g/mol
Monoisotopic Mass:
280.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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