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180606-07-9 | Pyridine, 2-bromo-6-[3-(trifluoromethyl)phenyl]-
CAS No: 180606-07-9 Catalog No: AG00225O MDL No:
Product Description
Catalog Number:
AG00225O
Chemical Name:
Pyridine, 2-bromo-6-[3-(trifluoromethyl)phenyl]-
CAS Number:
180606-07-9
Molecular Formula:
C12H7BrF3N
Molecular Weight:
302.0899
IUPAC Name:
2-bromo-6-[3-(trifluoromethyl)phenyl]pyridine
InChI:
InChI=1S/C12H7BrF3N/c13-11-6-2-5-10(17-11)8-3-1-4-9(7-8)12(14,15)16/h1-7H
InChI Key:
PDZLRCAIJKFHCY-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.971g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.094g/mol
Monoisotopic Mass:
300.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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