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1222556-74-2 | Pyridine, 2-(chloromethyl)-6-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1222556-74-2 Catalog No: AG00170B MDL No:
Product Description
Catalog Number:
AG00170B
Chemical Name:
Pyridine, 2-(chloromethyl)-6-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1222556-74-2
Molecular Formula:
C7H6Cl2F3N
Molecular Weight:
232.0304
IUPAC Name:
2-(chloromethyl)-6-(trifluoromethyl)pyridine;hydrochloride
InChI:
InChI=1S/C7H5ClF3N.ClH/c8-4-5-2-1-3-6(12-5)7(9,10)11;/h1-3H,4H2;1H
InChI Key:
NQBCZKHYOFVAED-UHFFFAOYSA-N
SMILES:
ClCc1cccc(n1)C(F)(F)F.Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.027g/mol
Monoisotopic Mass:
230.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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