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951886-76-3 | 2-Bromo-3-(6-methoxy-2-pyridyl)-1-propene
CAS No: 951886-76-3 Catalog No: AG01EZPH MDL No:
Product Description
Catalog Number:
AG01EZPH
Chemical Name:
2-Bromo-3-(6-methoxy-2-pyridyl)-1-propene
CAS Number:
951886-76-3
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
IUPAC Name:
2-(2-bromoprop-2-enyl)-6-methoxypyridine
InChI:
InChI=1S/C9H10BrNO/c1-7(10)6-8-4-3-5-9(11-8)12-2/h3-5H,1,6H2,2H3
InChI Key:
TWMCQKGYESCJOH-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)CC(=C)Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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