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175135-34-9 | Benzeneacetonitrile, 4-[(3,4-dichlorophenyl)methoxy]-
CAS No: 175135-34-9 Catalog No: AG00206U MDL No:MFCD00067741
Product Description
Catalog Number:
AG00206U
Chemical Name:
Benzeneacetonitrile, 4-[(3,4-dichlorophenyl)methoxy]-
CAS Number:
175135-34-9
Molecular Formula:
C15H11Cl2NO
Molecular Weight:
292.1599
MDL Number:
MFCD00067741
IUPAC Name:
2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]acetonitrile
InChI:
InChI=1S/C15H11Cl2NO/c16-14-6-3-12(9-15(14)17)10-19-13-4-1-11(2-5-13)7-8-18/h1-6,9H,7,10H2
InChI Key:
NWVCDYRSZJPDJE-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.159g/mol
Monoisotopic Mass:
291.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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