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74074-78-5 | 1,2-Benzenediol,4-[2-[(2,2,2-trifluoroethyl)amino]ethyl]-, hydrobromide (1:1)
CAS No: 74074-78-5 Catalog No: AG005HML MDL No:
Product Description
Catalog Number:
AG005HML
Chemical Name:
1,2-Benzenediol,4-[2-[(2,2,2-trifluoroethyl)amino]ethyl]-, hydrobromide (1:1)
CAS Number:
74074-78-5
Molecular Formula:
C10H12F3NO2
Molecular Weight:
235.2030
IUPAC Name:
4-[2-(2,2,2-trifluoroethylamino)ethyl]benzene-1,2-diol;hydrobromide
InChI:
InChI=1S/C10H12F3NO2.BrH/c11-10(12,13)6-14-4-3-7-1-2-8(15)9(16)5-7;/h1-2,5,14-16H,3-4,6H2;1H
InChI Key:
HVADSRQRNHBZJR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1O)CCNCC(F)(F)F
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
316.118g/mol
Monoisotopic Mass:
315.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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