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832735-59-8 | 2(1H)-Pyridinone, 4-bromo-1-(2,2-difluoroethyl)-
CAS No: 832735-59-8 Catalog No: AG004XHO MDL No:
Product Description
Catalog Number:
AG004XHO
Chemical Name:
2(1H)-Pyridinone, 4-bromo-1-(2,2-difluoroethyl)-
CAS Number:
832735-59-8
Molecular Formula:
C7H6BrF2NO
Molecular Weight:
238.0294
IUPAC Name:
4-bromo-1-(2,2-difluoroethyl)pyridin-2-one
InChI:
InChI=1S/C7H6BrF2NO/c8-5-1-2-11(4-6(9)10)7(12)3-5/h1-3,6H,4H2
InChI Key:
IJGQJFCRAHJEBI-UHFFFAOYSA-N
SMILES:
FC(Cn1ccc(cc1=O)Br)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.032g/mol
Monoisotopic Mass:
236.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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