5-Nitrobenzoxazole-2-methanamine - CAS 918106-43-1

Catalog:	BB040357
Product Name:	5-Nitrobenzoxazole-2-methanamine
CAS:	918106-43-1
Synonyms:	(5-nitro-1,3-benzoxazol-2-yl)methanamine; (5-nitro-1,3-benzoxazol-2-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-nitro-1,3-benzoxazol-2-yl)methanamine
Description:	5-Nitrobenzoxazole-2-methanamine (CAS# 918106-43-1 ) is a useful research chemical.
Molecular Weight:	193.16
Molecular Formula:	C8H7N3O3
Canonical SMILES:	C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)CN
InChI:	InChI=1S/C8H7N3O3/c9-4-8-10-6-3-5(11(12)13)1-2-7(6)14-8/h1-3H,4,9H2
InChI Key:	QLTDDANGPAIMRB-UHFFFAOYSA-N
LogP:	2.41820

Publication Number	Title	Priority Date
US-2008176874-A1	Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same	20050701
US-2009163522-A1	Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same	20050701
US-7504406-B2	Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same	20050701
US-8008310-B2	Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same	20050701
WO-2007003765-A1	Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same	20050701

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Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.04874109
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.04874109
Rotatable Bond Count:	1
Topological Polar Surface Area:	97.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5