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140201-01-0 | Pyrimidine, 5-bromo-2,4-bis(1,1-dimethylethyl)-6-methoxy-
CAS No: 140201-01-0 Catalog No: AG001C53 MDL No:
Product Description
Catalog Number:
AG001C53
Chemical Name:
Pyrimidine, 5-bromo-2,4-bis(1,1-dimethylethyl)-6-methoxy-
CAS Number:
140201-01-0
Molecular Formula:
C13H21BrN2O
Molecular Weight:
301.2226
IUPAC Name:
5-bromo-2,4-ditert-butyl-6-methoxypyrimidine
InChI:
InChI=1S/C13H21BrN2O/c1-12(2,3)9-8(14)10(17-7)16-11(15-9)13(4,5)6/h1-7H3
InChI Key:
PGQZKFBQOOKOCN-UHFFFAOYSA-N
SMILES:
COc1nc(nc(c1Br)C(C)(C)C)C(C)(C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.228g/mol
Monoisotopic Mass:
300.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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