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Home > Bromides > 1448896-43-2
1448896-43-2 | 1-(5-bromopyridin-3-yl)-2,2,2-trifluoroethane-1,1-diol
CAS No: 1448896-43-2 Catalog No: AG01EMS5 MDL No:
Product Description
Catalog Number:
AG01EMS5
Chemical Name:
1-(5-bromopyridin-3-yl)-2,2,2-trifluoroethane-1,1-diol
CAS Number:
1448896-43-2
Molecular Formula:
C7H5BrF3NO2
Molecular Weight:
272.0193
IUPAC Name:
1-(5-bromopyridin-3-yl)-2,2,2-trifluoroethane-1,1-diol
InChI:
InChI=1S/C7H5BrF3NO2/c8-5-1-4(2-12-3-5)6(13,14)7(9,10)11/h1-3,13-14H
InChI Key:
VVADTYSQMRWSOY-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)C(C(F)(F)F)(O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.021g/mol
Monoisotopic Mass:
270.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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