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2-Nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one

2-Nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one - CAS 740842-50-6

Catalog:	BB034982
Product Name:	2-Nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one
CAS:	740842-50-6
Synonyms:	3-nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one; 3-nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
Description:	2-Nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one (CAS# 740842-50-6) is a useful research chemical.
Molecular Weight:	205.21
Molecular Formula:	C11H11NO3
Canonical SMILES:	C1CC2=C(CCC1=O)C=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C11H11NO3/c13-11-5-2-8-1-4-10(12(14)15)7-9(8)3-6-11/h1,4,7H,2-3,5-6H2
InChI Key:	YQPLEYWTKAXWAD-UHFFFAOYSA-N
LogP:	2.56590

Publication Number	Title	Priority Date
AU-2010204578-A1	AXL inhibitors for use in combination therapy for preventing, treating or managing metastatic cancer	20090116
AU-2010204578-B2	AXL inhibitors for use in combination therapy for preventing, treating or managing metastatic cancer	20090116
CA-2749843-A1	Axl inhibitors for use in combination therapy for preventing, treating or managing metastatic cancer	20090116
CN-102281875-A	Axl inhibitors for use in combination therapy for preventing, treating or managing metastatic cancer	20090116
EP-2387395-A1	Axl inhibitors for use in combination therapy for preventing, treating or managing metastatic cancer	20090116

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Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.07389321
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.07389321
Rotatable Bond Count:	0
Topological Polar Surface Area:	62.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7