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8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine - CAS 81864-62-2

Name: 8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036717
Product Name:	8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CAS:	81864-62-2
Synonyms:	7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine; 7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine
Description:	8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine (CAS# 81864-62-2) is a useful research chemical.
Molecular Weight:	210.19
Molecular Formula:	C9H10N2O4
Canonical SMILES:	C1COC2=C(C=C(C(=C2)N)[N+](=O)[O-])OC1
InChI:	InChI=1S/C9H10N2O4/c10-6-4-8-9(5-7(6)11(12)13)15-3-1-2-14-8/h4-5H,1-3,10H2
InChI Key:	AFALZDMHQHIVNC-UHFFFAOYSA-N
Boiling Point:	390.6 °C at 760 mmHg
Density:	1.399 g/cm³
MDL:	MFCD02103699
LogP:	2.44270

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Publication Number	Title	Priority Date
CA-1134829-A	Imidazole derivatives	19800821
CH-644116-A5	IMIDAZOLE DERIVATIVES.	19800821
FR-2488890-A1	TRICYCLIC DERIVATIVES OF IMIDAZOLE, THEIR PREPARATION AND THEIR THERAPEUTIC USES	19800821
GB-2082580-A	Tricyclic imidazole derivatives	19800821
LU-83571-A1	IMIDAZOLE DERIVATIVES	19800821

Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0640568
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0640568
Rotatable Bond Count:	0
Topological Polar Surface Area:	90.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7