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188416-47-9 | Pyrimidine, 4-(1-bromoethyl)-5-fluoro-
CAS No: 188416-47-9 Catalog No: AG002GWE MDL No:MFCD16619274
Product Description
Catalog Number:
AG002GWE
Chemical Name:
Pyrimidine, 4-(1-bromoethyl)-5-fluoro-
CAS Number:
188416-47-9
Molecular Formula:
C6H6BrFN2
Molecular Weight:
205.0276
MDL Number:
MFCD16619274
IUPAC Name:
4-(1-bromoethyl)-5-fluoropyrimidine
InChI:
InChI=1S/C6H6BrFN2/c1-4(7)6-5(8)2-9-3-10-6/h2-4H,1H3
InChI Key:
BXIHJVDQQNZXBD-UHFFFAOYSA-N
SMILES:
CC(c1ncncc1F)Br
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.03g/mol
Monoisotopic Mass:
203.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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