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28495-11-6 | Benzeneacetonitrile, 3,5-dibromo-2-hydroxy-4-methoxy-
CAS No: 28495-11-6 Catalog No: AG002VJC MDL No:
Product Description
Catalog Number:
AG002VJC
Chemical Name:
Benzeneacetonitrile, 3,5-dibromo-2-hydroxy-4-methoxy-
CAS Number:
28495-11-6
Molecular Formula:
C9H7Br2NO2
Molecular Weight:
320.9654
IUPAC Name:
2-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H7Br2NO2/c1-14-9-6(10)4-5(2-3-12)8(13)7(9)11/h4,13H,2H2,1H3
InChI Key:
RYKWNSCSQSDNAM-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Br)c(c(c1O)Br)OC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.882g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.968g/mol
Monoisotopic Mass:
318.884g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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