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Home > Bromides > 1256804-63-3
1256804-63-3 | Pyridine, 3-bromo-4-methoxy-5-(trifluoromethyl)-
CAS No: 1256804-63-3 Catalog No: AG000OE2 MDL No:
Product Description
Catalog Number:
AG000OE2
Chemical Name:
Pyridine, 3-bromo-4-methoxy-5-(trifluoromethyl)-
CAS Number:
1256804-63-3
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
IUPAC Name:
3-bromo-4-methoxy-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H5BrF3NO/c1-13-6-4(7(9,10)11)2-12-3-5(6)8/h2-3H,1H3
InChI Key:
DCJXZFDKBKRFHR-UHFFFAOYSA-N
SMILES:
COc1c(Br)cncc1C(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:
254.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.022g/mol
Monoisotopic Mass:
254.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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