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206558-64-7 | Butanal, 4-[(2,4-dinitrophenyl)amino]-
CAS No: 206558-64-7 Catalog No: AG002IJ9 MDL No:
Product Description
Catalog Number:
AG002IJ9
Chemical Name:
Butanal, 4-[(2,4-dinitrophenyl)amino]-
CAS Number:
206558-64-7
Molecular Formula:
C10H11N3O5
Molecular Weight:
253.2114
IUPAC Name:
4-(2,4-dinitroanilino)butanal
InChI:
InChI=1S/C10H11N3O5/c14-6-2-1-5-11-9-4-3-8(12(15)16)7-10(9)13(17)18/h3-4,6-7,11H,1-2,5H2
InChI Key:
YTMVTLHELUQEPC-UHFFFAOYSA-N
SMILES:
O=CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.214g/mol
Monoisotopic Mass:
253.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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