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1260679-52-4 | Ethanone, 2-amino-1-(4-bromo-3-fluorophenyl)-, hydrochloride (1:1)
CAS No: 1260679-52-4 Catalog No: AG000R2E MDL No:MFCD11847050
Product Description
Catalog Number:
AG000R2E
Chemical Name:
Ethanone, 2-amino-1-(4-bromo-3-fluorophenyl)-, hydrochloride (1:1)
CAS Number:
1260679-52-4
Molecular Formula:
C8H8BrClFNO
Molecular Weight:
268.5106
MDL Number:
MFCD11847050
IUPAC Name:
2-amino-1-(4-bromo-3-fluorophenyl)ethanone;hydrochloride
InChI:
InChI=1S/C8H7BrFNO.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3H,4,11H2;1H
InChI Key:
SDDJUSCOXLXSAB-UHFFFAOYSA-N
SMILES:
NCC(=O)c1ccc(c(c1)F)Br.Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.51g/mol
Monoisotopic Mass:
266.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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