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832735-57-6 | 2(1H)-Pyridinone, 4-bromo-1-(difluoromethyl)-
CAS No: 832735-57-6 Catalog No: AG004XHP MDL No:MFCD14584702
Product Description
Catalog Number:
AG004XHP
Chemical Name:
2(1H)-Pyridinone, 4-bromo-1-(difluoromethyl)-
CAS Number:
832735-57-6
Molecular Formula:
C6H4BrF2NO
Molecular Weight:
224.0029
MDL Number:
MFCD14584702
IUPAC Name:
4-bromo-1-(difluoromethyl)pyridin-2-one
InChI:
InChI=1S/C6H4BrF2NO/c7-4-1-2-10(6(8)9)5(11)3-4/h1-3,6H
InChI Key:
XSFOCSAUJRYYKW-UHFFFAOYSA-N
SMILES:
Brc1ccn(c(=O)c1)C(F)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.944g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.005g/mol
Monoisotopic Mass:
222.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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