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27645-60-9 | Benzonitrile, 4-(4-methoxybenzoyl)-
CAS No: 27645-60-9 Catalog No: AG002UBV MDL No:MFCD01311594
Product Description
Catalog Number:
AG002UBV
Chemical Name:
Benzonitrile, 4-(4-methoxybenzoyl)-
CAS Number:
27645-60-9
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD01311594
IUPAC Name:
4-(4-methoxybenzoyl)benzonitrile
InChI:
InChI=1S/C15H11NO2/c1-18-14-8-6-13(7-9-14)15(17)12-4-2-11(10-16)3-5-12/h2-9H,1H3
InChI Key:
LJZVSJCLGALFPA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1ccc(cc1)C#N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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