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Home > Bromides > 1242336-74-8
1242336-74-8 | Pyrimidine, 5-bromo-2-[(2-methylpropyl)thio]-
CAS No: 1242336-74-8 Catalog No: AG000LQ5 MDL No:MFCD16660316
Product Description
Catalog Number:
AG000LQ5
Chemical Name:
Pyrimidine, 5-bromo-2-[(2-methylpropyl)thio]-
CAS Number:
1242336-74-8
Molecular Formula:
C8H11BrN2S
Molecular Weight:
247.1553
MDL Number:
MFCD16660316
IUPAC Name:
5-bromo-2-(2-methylpropylsulfanyl)pyrimidine
InChI:
InChI=1S/C8H11BrN2S/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3
InChI Key:
QKOBLHJEXDEJHR-UHFFFAOYSA-N
SMILES:
CC(CSc1ncc(cn1)Br)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.154g/mol
Monoisotopic Mass:
245.983g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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