Home Other Building Blocks 6-(CHLOROMETHYL)PYRIMIDIN-4-OL

6-(CHLOROMETHYL)PYRIMIDIN-4-OL

CAS No.:
94171-03-6
Catalog Number:
AG01EMFX
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
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Product Description
Catalog Number:
AG01EMFX
Chemical Name:
6-(CHLOROMETHYL)PYRIMIDIN-4-OL
CAS Number:
94171-03-6
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD28956032
IUPAC Name:
4-(chloromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H5ClN2O/c6-2-4-1-5(9)8-3-7-4/h1,3H,2H2,(H,7,8,9)
InChI Key:
OPIOOXDZVDOAAZ-UHFFFAOYSA-N
SMILES:
Oc1cc(CCl)ncn1
Properties
Complexity:
185  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
144.558g/mol
Monoisotopic Mass:
144.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties