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819083-98-2 | Pyridine, 2-bromo-6-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS No: 819083-98-2 Catalog No: AG005GCY MDL No:
Product Description
Catalog Number:
AG005GCY
Chemical Name:
Pyridine, 2-bromo-6-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS Number:
819083-98-2
Molecular Formula:
C11H13BrN2O
Molecular Weight:
269.1377
IUPAC Name:
(4S)-2-(6-bromopyridin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C11H13BrN2O/c1-7(2)9-6-15-11(14-9)8-4-3-5-10(12)13-8/h3-5,7,9H,6H2,1-2H3/t9-/m1/s1
InChI Key:
DBXACZYRCUDXOS-SECBINFHSA-N
SMILES:
CC([C@H]1COC(=N1)c1cccc(n1)Br)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
268.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.142g/mol
Monoisotopic Mass:
268.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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