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936841-70-2 | 3-Bromo-4-trifluoromethylpyridine
CAS No: 936841-70-2 Catalog No: AG00GRC9 MDL No:MFCD08061310
Product Description
Catalog Number:
AG00GRC9
Chemical Name:
3-Bromo-4-trifluoromethylpyridine
CAS Number:
936841-70-2
Molecular Formula:
C6H3BrF3N
Molecular Weight:
225.9939
MDL Number:
MFCD08061310
IUPAC Name:
3-bromo-4-(trifluoromethyl)pyridine
InChI:
InChI=1S/C6H3BrF3N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H
InChI Key:
OPNNLECPNPMTMV-UHFFFAOYSA-N
SMILES:
Brc1cnccc1C(F)(F)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.996g/mol
Monoisotopic Mass:
224.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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