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1632285-99-4 | 4(1H)-Pyrimidinone, 2-chlorotetrahydro-5-methoxy-3-methyl-
CAS No: 1632285-99-4 Catalog No: AG001TX5 MDL No:
Product Description
Catalog Number:
AG001TX5
Chemical Name:
4(1H)-Pyrimidinone, 2-chlorotetrahydro-5-methoxy-3-methyl-
CAS Number:
1632285-99-4
Molecular Formula:
C6H11ClN2O2
Molecular Weight:
178.6167
IUPAC Name:
2-chloro-5-methoxy-3-methyl-1,3-diazinan-4-one
InChI:
InChI=1S/C6H11ClN2O2/c1-9-5(10)4(11-2)3-8-6(9)7/h4,6,8H,3H2,1-2H3
InChI Key:
WQILCLPMKFDDSH-UHFFFAOYSA-N
SMILES:
CN1C(Cl)NCC(C1=O)OC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.616g/mol
Monoisotopic Mass:
178.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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