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141854-31-1 | 2H-1,4-Oxazin-2-one, 5-chloro-3-methoxy-6-methyl-
CAS No: 141854-31-1 Catalog No: AG001H9I MDL No:
Product Description
Catalog Number:
AG001H9I
Chemical Name:
2H-1,4-Oxazin-2-one, 5-chloro-3-methoxy-6-methyl-
CAS Number:
141854-31-1
Molecular Formula:
C6H6ClNO3
Molecular Weight:
175.5697
IUPAC Name:
5-chloro-3-methoxy-6-methyl-1,4-oxazin-2-one
InChI:
InChI=1S/C6H6ClNO3/c1-3-4(7)8-5(10-2)6(9)11-3/h1-2H3
InChI Key:
JDCNQAFPLNKBPL-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)c(oc1=O)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.568g/mol
Monoisotopic Mass:
175.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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