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1227563-79-2 | Pyridine, 3-chloro-2-methoxy-4-(trifluoromethyl)-
CAS No: 1227563-79-2 Catalog No: AG000JAC MDL No:
Product Description
Catalog Number:
AG000JAC
Chemical Name:
Pyridine, 3-chloro-2-methoxy-4-(trifluoromethyl)-
CAS Number:
1227563-79-2
Molecular Formula:
C7H5ClF3NO
Molecular Weight:
211.5689
IUPAC Name:
3-chloro-2-methoxy-4-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H5ClF3NO/c1-13-6-5(8)4(2-3-12-6)7(9,10)11/h2-3H,1H3
InChI Key:
BTQBEVHCKDNJMM-UHFFFAOYSA-N
SMILES:
COc1nccc(c1Cl)C(F)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.568g/mol
Monoisotopic Mass:
211.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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