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85878-84-8 | 4-CHLORO-6-(CHLOROMETHYL)-PYRIMIDINE
CAS No: 85878-84-8 Catalog No: AG004NI4 MDL No:MFCD10697079
Product Description
Catalog Number:
AG004NI4
Chemical Name:
4-CHLORO-6-(CHLOROMETHYL)-PYRIMIDINE
CAS Number:
85878-84-8
Molecular Formula:
C5H4Cl2N2
Molecular Weight:
163.0047
MDL Number:
MFCD10697079
IUPAC Name:
4-chloro-6-(chloromethyl)pyrimidine
InChI:
InChI=1S/C5H4Cl2N2/c6-2-4-1-5(7)9-3-8-4/h1,3H,2H2
InChI Key:
UICZKLGFGMANCR-UHFFFAOYSA-N
SMILES:
ClCc1ncnc(c1)Cl
Properties
Complexity:
89
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:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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