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1027545-48-7 | Pyridine, 4-(chloromethyl)-2-(trifluoromethyl)-
CAS No: 1027545-48-7 Catalog No: AG0008AR MDL No:MFCD13188827
Product Description
Catalog Number:
AG0008AR
Chemical Name:
Pyridine, 4-(chloromethyl)-2-(trifluoromethyl)-
CAS Number:
1027545-48-7
Molecular Formula:
C7H5ClF3N
Molecular Weight:
195.5695
MDL Number:
MFCD13188827
IUPAC Name:
4-(chloromethyl)-2-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H5ClF3N/c8-4-5-1-2-12-6(3-5)7(9,10)11/h1-3H,4H2
InChI Key:
YOIMSDQEIAGDNP-UHFFFAOYSA-N
SMILES:
ClCc1ccnc(c1)C(F)(F)F
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.569g/mol
Monoisotopic Mass:
195.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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