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495396-35-5 | 3-Bromo-4-ethoxy-5-methoxybenzonitrile
CAS No: 495396-35-5 Catalog No: AG003J1N MDL No:MFCD02256499
Product Description
Catalog Number:
AG003J1N
Chemical Name:
3-Bromo-4-ethoxy-5-methoxybenzonitrile
CAS Number:
495396-35-5
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD02256499
IUPAC Name:
3-bromo-4-ethoxy-5-methoxybenzonitrile
InChI:
InChI=1S/C10H10BrNO2/c1-3-14-10-8(11)4-7(6-12)5-9(10)13-2/h4-5H,3H2,1-2H3
InChI Key:
AMMHOLOYPXBDNB-UHFFFAOYSA-N
SMILES:
CCOc1c(Br)cc(cc1OC)C#N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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