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832674-46-1 | 2-Bromo-4-(2-hydroxyethoxy)-5-methoxybenzonitrile
CAS No: 832674-46-1 Catalog No: AG003GNA MDL No:MFCD02256792
Product Description
Catalog Number:
AG003GNA
Chemical Name:
2-Bromo-4-(2-hydroxyethoxy)-5-methoxybenzonitrile
CAS Number:
832674-46-1
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
MDL Number:
MFCD02256792
IUPAC Name:
2-bromo-4-(2-hydroxyethoxy)-5-methoxybenzonitrile
InChI:
InChI=1S/C10H10BrNO3/c1-14-9-4-7(6-12)8(11)5-10(9)15-3-2-13/h4-5,13H,2-3H2,1H3
InChI Key:
IEYASXGZDIWRMO-UHFFFAOYSA-N
SMILES:
OCCOc1cc(Br)c(cc1OC)C#N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.098g/mol
Monoisotopic Mass:
270.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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