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1780-28-5

1780-28-5 | Pyrimidine, 4,5,6-trichloro-2-methyl-

CAS No: 1780-28-5 Catalog No: AG0025PY MDL No:MFCD12405315

Product Description

Catalog Number:
AG0025PY
Chemical Name:
Pyrimidine, 4,5,6-trichloro-2-methyl-
CAS Number:
1780-28-5
Molecular Formula:
C5H3Cl3N2
Molecular Weight:
197.4497
MDL Number:
MFCD12405315
IUPAC Name:
4,5,6-trichloro-2-methylpyrimidine
InChI:
InChI=1S/C5H3Cl3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3
InChI Key:
MLXZCYRURHJFLL-UHFFFAOYSA-N
SMILES:
Cc1nc(Cl)c(c(n1)Cl)Cl
EC Number:
928-116-5
NSC Number:
26540

Properties

Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.936g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.443g/mol
Monoisotopic Mass:
195.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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