Home Halogens Pyrimidine, 2-(chloromethyl)-, 1-oxide (9CI)

Pyrimidine, 2-(chloromethyl)-, 1-oxide (9CI)

CAS No.:
206882-35-1
Catalog Number:
AG00CFQ5
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
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Product Description
Catalog Number:
AG00CFQ5
Chemical Name:
Pyrimidine, 2-(chloromethyl)-, 1-oxide (9CI)
CAS Number:
206882-35-1
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD14705853
IUPAC Name:
2-(chloromethyl)-1-oxidopyrimidin-1-ium
InChI:
InChI=1S/C5H5ClN2O/c6-4-5-7-2-1-3-8(5)9/h1-3H,4H2
InChI Key:
CQXXFUHHJBPEID-UHFFFAOYSA-N
SMILES:
ClCc1nccc[n+]1[O-]
Properties
Complexity:
91  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.558g/mol
Monoisotopic Mass:
144.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties