1-Isopropoxy-2-nitrobenzene - CAS 38753-50-3

Catalog:	BB023750
Product Name:	1-Isopropoxy-2-nitrobenzene
CAS:	38753-50-3
Synonyms:	1-nitro-2-propan-2-yloxybenzene; 1-nitro-2-propan-2-yloxybenzene

Technical Data

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Computed Properties

IUPAC Name:	1-nitro-2-propan-2-yloxybenzene
Description:	1-Isopropoxy-2-nitrobenzene (CAS# 38753-50-3) is a useful research chemical.
Molecular Weight:	181.19
Molecular Formula:	C9H11NO3
Canonical SMILES:	CC(C)OC1=CC=CC=C1[N+](=O)[O-]
InChI:	InChI=1S/C9H11NO3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
InChI Key:	YGURTOHWDPSBAA-UHFFFAOYSA-N
LogP:	2.90520

Publication Number	Title	Priority Date
CN-108929275-A	6- (3,4- substituted-phenyl) -3- oxo -2,3- dihydrogen dazin -4- hydrazide kind compound and application thereof	20180614
KR-20190052864-A	METHOD FOR PRODUCING Catalyst COMPOSITION for Polymerization of High Density PolyETHYLENE	20171109
US-2015175558-A1	Quinazolinone-based oncogenic-ras-selective lethal compounds and their use	20120713
US-9695133-B2	Quinazolinone-based oncogenic-RAS-selective lethal compounds and their use	20120713
WO-2014011973-A2	Quinazolinone-based oncogenic-ras-selective lethal compounds and their use	20120713

PMID	Publication Date	Title	Journal
11401574	20010619	Binding and oxidation of alkyl 4-nitrophenyl ethers by rabbit cytochrome P450 1A2: evidence for two binding sites	Biochemistry

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[1427004-19-0]
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[1383427-98-2]
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[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile

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Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.07389321
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.07389321
Rotatable Bond Count:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5