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114443-64-0 | 2-(3,5-dinitrophenyl)acetonitrile
CAS No: 114443-64-0 Catalog No: AG01DDZA MDL No:
Product Description
Catalog Number:
AG01DDZA
Chemical Name:
2-(3,5-dinitrophenyl)acetonitrile
CAS Number:
114443-64-0
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
IUPAC Name:
2-(3,5-dinitrophenyl)acetonitrile
InChI:
InChI=1S/C8H5N3O4/c9-2-1-6-3-7(10(12)13)5-8(4-6)11(14)15/h3-5H,1H2
InChI Key:
KSBLQNRAZKRDRB-UHFFFAOYSA-N
SMILES:
N#CCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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