N-Hydroxy-4-methylbenzimidoyl Chloride - CAS 36288-37-6

Catalog:	BB075215
Product Name:	N-Hydroxy-4-methylbenzimidoyl Chloride
CAS:	36288-37-6
Synonyms:	N-HYDROXY-4-METHYLBENZIMIDOYL CHLORIDE; N-Hydroxy-4-methylbenzene-1-carbonimidoyl chloride; (1Z)-N-hydroxy-4-methylbenzenecarboximidoyl chloride; (Z)-N-Hydroxy-4-methylbenzimidoyl chloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(1Z)-N-hydroxy-4-methylbenzenecarboximidoyl chloride
Molecular Weight:	169.61
Molecular Formula:	C8H8NOCl
Canonical SMILES:	CC1=CC=C(C=C1)C(=NO)Cl
InChI:	InChI=1S/C8H8ClNO/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3/b10-8-
InChI Key:	CWLYVEMDVAPUMV-NTMALXAHSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	169.0294416
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.0294416
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1