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188416-46-8 | Pyrimidine, 4-(1-bromoethyl)-2-chloro-5-fluoro-
CAS No: 188416-46-8 Catalog No: AG002GWF MDL No:
Product Description
Catalog Number:
AG002GWF
Chemical Name:
Pyrimidine, 4-(1-bromoethyl)-2-chloro-5-fluoro-
CAS Number:
188416-46-8
Molecular Formula:
C6H5BrClFN2
Molecular Weight:
239.4727
IUPAC Name:
4-(1-bromoethyl)-2-chloro-5-fluoropyrimidine
InChI:
InChI=1S/C6H5BrClFN2/c1-3(7)5-4(9)2-10-6(8)11-5/h2-3H,1H3
InChI Key:
HNRVNZSHWCXVSQ-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)C(Br)C)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.931g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.472g/mol
Monoisotopic Mass:
237.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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