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116059-10-0 | Acetonitrile, 2-[(2,6-dinitrophenyl)amino]-
CAS No: 116059-10-0 Catalog No: AG000BIV MDL No:
Product Description
Catalog Number:
AG000BIV
Chemical Name:
Acetonitrile, 2-[(2,6-dinitrophenyl)amino]-
CAS Number:
116059-10-0
Molecular Formula:
C8H6N4O4
Molecular Weight:
222.1576
IUPAC Name:
2-(2,6-dinitroanilino)acetonitrile
InChI:
InChI=1S/C8H6N4O4/c9-4-5-10-8-6(11(13)14)2-1-3-7(8)12(15)16/h1-3,10H,5H2
InChI Key:
NFLFRNWWCKPJTP-UHFFFAOYSA-N
SMILES:
N#CCNc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.16g/mol
Monoisotopic Mass:
222.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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