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Home > Bromides > 1221793-69-6
1221793-69-6 | Acetonitrile, 2-(5-bromo-2-methoxyphenoxy)-
CAS No: 1221793-69-6 Catalog No: AG0016VU MDL No:MFCD16036123
Product Description
Catalog Number:
AG0016VU
Chemical Name:
Acetonitrile, 2-(5-bromo-2-methoxyphenoxy)-
CAS Number:
1221793-69-6
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD16036123
IUPAC Name:
2-(5-bromo-2-methoxyphenoxy)acetonitrile
InChI:
InChI=1S/C9H8BrNO2/c1-12-8-3-2-7(10)6-9(8)13-5-4-11/h2-3,6H,5H2,1H3
InChI Key:
PQWGGDKJXBFASE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCC#N)Br
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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