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Home > Nitro Compounds > 17076-74-3
17076-74-3 | Benzonitrile, 3-(4-nitrophenoxy)-
CAS No: 17076-74-3 Catalog No: AG00HZH7 MDL No:
Product Description
Catalog Number:
AG00HZH7
Chemical Name:
Benzonitrile, 3-(4-nitrophenoxy)-
CAS Number:
17076-74-3
IUPAC Name:
3-(4-nitrophenoxy)benzonitrile
InChI:
InChI=1S/C13H8N2O3/c14-9-10-2-1-3-13(8-10)18-12-6-4-11(5-7-12)15(16)17/h1-8H
InChI Key:
ICUJVTKZUNIFAB-UHFFFAOYSA-N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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