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127337-60-4 | Pyridine, 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)-, hydrochloride (1:1)
CAS No: 127337-60-4 Catalog No: AG000WWY MDL No:MFCD00800224
Product Description
Catalog Number:
AG000WWY
Chemical Name:
Pyridine, 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)-, hydrochloride (1:1)
CAS Number:
127337-60-4
Molecular Formula:
C9H10Cl2F3NO
Molecular Weight:
276.0830
MDL Number:
MFCD00800224
IUPAC Name:
2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;hydrochloride
InChI:
InChI=1S/C9H9ClF3NO.ClH/c1-6-7(4-10)14-3-2-8(6)15-5-9(11,12)13;/h2-3H,4-5H2,1H3;1H
InChI Key:
CMZBQUWICURDCD-UHFFFAOYSA-N
SMILES:
ClCc1nccc(c1C)OCC(F)(F)F.Cl
EC Number:
603-200-1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.08g/mol
Monoisotopic Mass:
275.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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