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1199773-45-9 | 2(1H)-Pyridinone, 3-bromo-5-chloro-4-methyl-
CAS No: 1199773-45-9 Catalog No: AG000PYB MDL No:MFCD13195779
Product Description
Catalog Number:
AG000PYB
Chemical Name:
2(1H)-Pyridinone, 3-bromo-5-chloro-4-methyl-
CAS Number:
1199773-45-9
Molecular Formula:
C6H5BrClNO
Molecular Weight:
222.4670
MDL Number:
MFCD13195779
IUPAC Name:
3-bromo-5-chloro-4-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C6H5BrClNO/c1-3-4(8)2-9-6(10)5(3)7/h2H,1H3,(H,9,10)
InChI Key:
IKLYPWQHGKGSAQ-UHFFFAOYSA-N
SMILES:
Clc1c[nH]c(=O)c(c1C)Br
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.924g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.466g/mol
Monoisotopic Mass:
220.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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