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206995-48-4 | 1,2-Benzenedicarbonitrile, 3-(phenylmethoxy)-
CAS No: 206995-48-4 Catalog No: AG002IS4 MDL No:
Product Description
Catalog Number:
AG002IS4
Chemical Name:
1,2-Benzenedicarbonitrile, 3-(phenylmethoxy)-
CAS Number:
206995-48-4
Molecular Formula:
C15H10N2O
Molecular Weight:
234.2527
IUPAC Name:
3-phenylmethoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C15H10N2O/c16-9-13-7-4-8-15(14(13)10-17)18-11-12-5-2-1-3-6-12/h1-8H,11H2
InChI Key:
DMCSCRADMZTRBC-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1C#N)OCc1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.258g/mol
Monoisotopic Mass:
234.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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