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4472-45-1 | 4-Chloro-2,6-dimethylpyrimidine
CAS No: 4472-45-1 Catalog No: AG0033Z4 MDL No:MFCD00234197
Product Description
Catalog Number:
AG0033Z4
Chemical Name:
4-Chloro-2,6-dimethylpyrimidine
CAS Number:
4472-45-1
Molecular Formula:
C6H7ClN2
Molecular Weight:
142.5862
MDL Number:
MFCD00234197
IUPAC Name:
4-chloro-2,6-dimethylpyrimidine
InChI:
InChI=1S/C6H7ClN2/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3
InChI Key:
GSXFOGXQLRLSKK-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)nc(n1)C
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.586g/mol
Monoisotopic Mass:
142.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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