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Home > Nitro Compounds > 70244-96-1
70244-96-1 | Benzenecarbohydrazonoylchloride, N-(2,4-dinitrophenyl)-2-(2-propyn-1-yloxy)-
CAS No: 70244-96-1 Catalog No: AG005KG2 MDL No:
Product Description
Catalog Number:
AG005KG2
Chemical Name:
Benzenecarbohydrazonoylchloride, N-(2,4-dinitrophenyl)-2-(2-propyn-1-yloxy)-
CAS Number:
70244-96-1
Molecular Formula:
C16H11ClN4O5
Molecular Weight:
374.7353
IUPAC Name:
N-(2,4-dinitrophenyl)-2-prop-2-ynoxybenzenecarbohydrazonoyl chloride
InChI:
InChI=1S/C16H11ClN4O5/c1-2-9-26-15-6-4-3-5-12(15)16(17)19-18-13-8-7-11(20(22)23)10-14(13)21(24)25/h1,3-8,10,18H,9H2
InChI Key:
UHCMRSBGVNGZAE-UHFFFAOYSA-N
SMILES:
C#CCOc1ccccc1C(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Cl
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.042g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.737g/mol
Monoisotopic Mass:
374.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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