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13036-57-2 | Pyrimidine, 2-chloro-4-methyl-
CAS No: 13036-57-2 Catalog No: AG000UB3 MDL No:MFCD00054434
Product Description
Catalog Number:
AG000UB3
Chemical Name:
Pyrimidine, 2-chloro-4-methyl-
CAS Number:
13036-57-2
Molecular Formula:
C5H5ClN2
Molecular Weight:
128.5596
MDL Number:
MFCD00054434
IUPAC Name:
2-chloro-4-methylpyrimidine
InChI:
InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
InChI Key:
BHAKRVSCGILCEW-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)Cl
Properties
Complexity:
76.8
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:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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