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1015846-31-7 | Pyrimidine, 4-chloro-2-methyl-5-(1-methylethyl)-
CAS No: 1015846-31-7 Catalog No: AG0004VR MDL No:MFCD09971217
Product Description
Catalog Number:
AG0004VR
Chemical Name:
Pyrimidine, 4-chloro-2-methyl-5-(1-methylethyl)-
CAS Number:
1015846-31-7
Molecular Formula:
C8H11ClN2
Molecular Weight:
170.6393
MDL Number:
MFCD09971217
IUPAC Name:
4-chloro-2-methyl-5-propan-2-ylpyrimidine
InChI:
InChI=1S/C8H11ClN2/c1-5(2)7-4-10-6(3)11-8(7)9/h4-5H,1-3H3
InChI Key:
AYJVOUWHWPMKEB-UHFFFAOYSA-N
SMILES:
Cc1ncc(c(n1)Cl)C(C)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.64g/mol
Monoisotopic Mass:
170.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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