2'-Amino-5'-nitroacetophenone - CAS 32580-41-9

Name: 2'-Amino-5'-nitroacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021336
Product Name:	2'-Amino-5'-nitroacetophenone
CAS:	32580-41-9
Synonyms:	1-(2-amino-5-nitrophenyl)ethanone; 1-(2-amino-5-nitrophenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-amino-5-nitrophenyl)ethanone
Description:	2'-Amino-5'-nitroacetophenone (CAS# 32580-41-9) is a useful research chemical.
Molecular Weight:	180.16
Molecular Formula:	C8H8N2O3
Canonical SMILES:	CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N
InChI:	InChI=1S/C8H8N2O3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,9H2,1H3
InChI Key:	WYSBWHYLQMVOOL-UHFFFAOYSA-N
Boiling Point:	332.9 °C at 760 mmHg
Density:	1.333 g/cm³
MDL:	MFCD00034019
LogP:	2.48400

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Publication Number	Title	Priority Date
CN-101298464-A	Photolabile compound, oligomer probe array and substrate, and manufacturing method of the same	20070207
EP-1353895-A2	Primary intermediates for oxidative coloration of hair	20010123
US-2002144357-A1	Primary intermediates for oxidative coloration of hair	20010123
US-2003131422-A1	Primary intermediates for oxidative coloration of hair	20010123
US-2004255403-A1	Primary intermediates for oxidative coloration of hair	20010123

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.05349212
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.05349212
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6