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Home > Bromides > 1003706-87-3
1003706-87-3 | Pyrimidine, 4-bromo-5-fluoro-
CAS No: 1003706-87-3 Catalog No: AG0001RH MDL No:MFCD09955612
Product Description
Catalog Number:
AG0001RH
Chemical Name:
Pyrimidine, 4-bromo-5-fluoro-
CAS Number:
1003706-87-3
Molecular Formula:
C4H2BrFN2
Molecular Weight:
176.9745
MDL Number:
MFCD09955612
IUPAC Name:
4-bromo-5-fluoropyrimidine
InChI:
InChI=1S/C4H2BrFN2/c5-4-3(6)1-7-2-8-4/h1-2H
InChI Key:
PPJOFMHOVLXHPA-UHFFFAOYSA-N
SMILES:
Fc1cncnc1Br
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.939g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.976g/mol
Monoisotopic Mass:
175.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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