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114468-05-2 | Pyridine, 3-bromo-4-(difluoromethyl)-
CAS No: 114468-05-2 Catalog No: AG000EGG MDL No:MFCD18257232
Product Description
Catalog Number:
AG000EGG
Chemical Name:
Pyridine, 3-bromo-4-(difluoromethyl)-
CAS Number:
114468-05-2
Molecular Formula:
C6H4BrF2N
Molecular Weight:
208.0035
MDL Number:
MFCD18257232
IUPAC Name:
3-bromo-4-(difluoromethyl)pyridine
InChI:
InChI=1S/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6H
InChI Key:
KCMMLUVZVBBEFO-UHFFFAOYSA-N
SMILES:
FC(c1ccncc1Br)F
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.95g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.006g/mol
Monoisotopic Mass:
206.95g/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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