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Home > Bromides > 1242336-56-6
1242336-56-6 | Pyrimidine, 5-bromo-2-(cyclohexylthio)-
CAS No: 1242336-56-6 Catalog No: AG000LQK MDL No:MFCD16660317
Product Description
Catalog Number:
AG000LQK
Chemical Name:
Pyrimidine, 5-bromo-2-(cyclohexylthio)-
CAS Number:
1242336-56-6
Molecular Formula:
C10H13BrN2S
Molecular Weight:
273.1926
MDL Number:
MFCD16660317
IUPAC Name:
5-bromo-2-cyclohexylsulfanylpyrimidine
InChI:
InChI=1S/C10H13BrN2S/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h6-7,9H,1-5H2
InChI Key:
LWKBPXULGUZFPU-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)SC1CCCCC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.192g/mol
Monoisotopic Mass:
271.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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