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515848-04-1 | 3-Bromo-5-methoxy-4-propoxybenzonitrile
CAS No: 515848-04-1 Catalog No: AG003J31 MDL No:MFCD02256505
Product Description
Catalog Number:
AG003J31
Chemical Name:
3-Bromo-5-methoxy-4-propoxybenzonitrile
CAS Number:
515848-04-1
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
MDL Number:
MFCD02256505
IUPAC Name:
3-bromo-5-methoxy-4-propoxybenzonitrile
InChI:
InChI=1S/C11H12BrNO2/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-6H,3-4H2,1-2H3
InChI Key:
PLJGWERCISNRNX-UHFFFAOYSA-N
SMILES:
CCCOc1c(Br)cc(cc1OC)C#N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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