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821777-02-0 | Benzonitrile, 4-(di-2-propenylamino)-3-nitro-
CAS No: 821777-02-0 Catalog No: AG005ITK MDL No:
Product Description
Catalog Number:
AG005ITK
Chemical Name:
Benzonitrile, 4-(di-2-propenylamino)-3-nitro-
CAS Number:
821777-02-0
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
4-[bis(prop-2-enyl)amino]-3-nitrobenzonitrile
InChI:
InChI=1S/C13H13N3O2/c1-3-7-15(8-4-2)12-6-5-11(10-14)9-13(12)16(17)18/h3-6,9H,1-2,7-8H2
InChI Key:
ADUJDGYLHQRKHU-UHFFFAOYSA-N
SMILES:
C=CCN(c1ccc(cc1[N+](=O)[O-])C#N)CC=C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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