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2-Chloro-5-nitrobenzamidine Hydrochloride

2-Chloro-5-nitrobenzamidine Hydrochloride - CAS 1004517-05-8

Catalog:	BB000231
Product Name:	2-Chloro-5-nitrobenzamidine Hydrochloride
CAS:	1004517-05-8
Synonyms:	2-chloro-5-nitrobenzenecarboximidamide;hydrochloride; 2-chloro-5-nitrobenzenecarboximidamide;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-5-nitrobenzenecarboximidamide;hydrochloride
Description:	2-Chloro-5-nitrobenzamidine Hydrochloride (CAS# 1004517-05-8 ) is a useful research chemical.
Molecular Weight:	236.06
Molecular Formula:	C7H7Cl2N3O2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])C(=N)N)Cl.Cl
InChI:	InChI=1S/C7H6ClN3O2.ClH/c8-6-2-1-4(11(12)13)3-5(6)7(9)10;/h1-3H,(H3,9,10);1H
InChI Key:	LCWTULRQZYFFFS-UHFFFAOYSA-N
LogP:	3.65750

Publication Number	Title	Priority Date
AU-2013292841-A1	N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof	20120719
AU-2013292841-B2	N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof	20120719
CA-2879448-A1	N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof	20120719
EP-2875005-A1	N-(3-heteroarylaryl)-4-arylarylcarboxamtdes and analogs as hedgehog pathway inhibitors and use thereof	20120719
JP-2015526412-A	N- (3-heteroarylaryl) -4-arylarylcarboxamides and analogs and their use as hedgehog pathway inhibitors	20120719

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.9915319
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	234.9915319
Rotatable Bond Count:	1
Topological Polar Surface Area:	95.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0