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1780-31-0 | Pyrimidine, 2,4-dichloro-5-methyl-
CAS No: 1780-31-0 Catalog No: AG0025PW MDL No:MFCD00023197
Product Description
Catalog Number:
AG0025PW
Chemical Name:
Pyrimidine, 2,4-dichloro-5-methyl-
CAS Number:
1780-31-0
Molecular Formula:
C5H4Cl2N2
Molecular Weight:
163.0047
MDL Number:
MFCD00023197
IUPAC Name:
2,4-dichloro-5-methylpyrimidine
InChI:
InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
InChI Key:
DQXNTSXKIUZJJS-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)Cl)C
EC Number:
217-227-8
NSC Number:
37532
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.001g/mol
Monoisotopic Mass:
161.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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