N-Phenylbenzenecarbohydrazonoyl Chloride - CAS 15424-14-3

Catalog:	BB010994
Product Name:	N-Phenylbenzenecarbohydrazonoyl Chloride
CAS:	15424-14-3
Synonyms:	(Z)-N-phenylbenzenecarbohydrazonoyl chloride; (Z)-N-phenylbenzenecarbohydrazonoyl chloride

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Computed Properties

IUPAC Name:	(Z)-N-phenylbenzenecarbohydrazonoyl chloride
Description:	N-Phenylbenzenecarbohydrazonoyl Chloride (CAS# 15424-14-3 ) is a useful research chemical.
Molecular Weight:	230.69
Molecular Formula:	C13H11ClN2
Canonical SMILES:	C1=CC=C(C=C1)C(=NNC2=CC=CC=C2)Cl
InChI:	InChI=1S/C13H11ClN2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H/b16-13-
InChI Key:	IUSCIWAUZVKPPY-SSZFMOIBSA-N
Boiling Point:	344.1 ℃ at 760 mmHg
Density:	1.13 g/cm³
MDL:	MFCD00180187
LogP:	3.77210

Publication Number	Title	Priority Date
US-6083969-A	1,3- and 2,3-diarylcycloalkano and cycloalkeno pyrazoles as selective inhibitors of cyclooxygenase-2 and antiinflammatory agents	19991020
EP-0353821-B1	Antipsychotic 3-piperazinyl-benzazole derivatives	19880805

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P391, P405, and P501
Signal Word:	Danger

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	230.0610761
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.0610761
Rotatable Bond Count:	3
Topological Polar Surface Area:	24.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6