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1403893-61-7 | Pyrimidine, 4-chloro-6-ethenyl-5-fluoro-
CAS No: 1403893-61-7 Catalog No: AG001CBX MDL No:MFCD22418070
Product Description
Catalog Number:
AG001CBX
Chemical Name:
Pyrimidine, 4-chloro-6-ethenyl-5-fluoro-
CAS Number:
1403893-61-7
Molecular Formula:
C6H4ClFN2
Molecular Weight:
158.5608
MDL Number:
MFCD22418070
IUPAC Name:
4-chloro-6-ethenyl-5-fluoropyrimidine
InChI:
InChI=1S/C6H4ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h2-3H,1H2
InChI Key:
OOPSUAVKHZVJLT-UHFFFAOYSA-N
SMILES:
C=Cc1ncnc(c1F)Cl
EC Number:
940-222-3
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.005g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.56g/mol
Monoisotopic Mass:
158.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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