Home Other Building Blocks 4-(Chloromethyl)pyrimidine

4-(Chloromethyl)pyrimidine

CAS No.:
54198-81-1
Catalog Number:
AG0033TA
Molecular Formula:
C5H5ClN2
Molecular Weight:
128.5596
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Product Description
Catalog Number:
AG0033TA
Chemical Name:
4-(Chloromethyl)pyrimidine
CAS Number:
54198-81-1
Molecular Formula:
C5H5ClN2
Molecular Weight:
128.5596
MDL Number:
MFCD10697060
IUPAC Name:
4-(chloromethyl)pyrimidine
InChI:
InChI=1S/C5H5ClN2/c6-3-5-1-2-7-4-8-5/h1-2,4H,3H2
InChI Key:
AROGQTWAAJTEFR-UHFFFAOYSA-N
SMILES:
ClCc1ccncn1
Properties
Complexity:
67.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.014g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.559g/mol
Monoisotopic Mass:
128.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties