4'-Chloroacetophenone semicarbazone - CAS 7575-74-8

Catalog:	BB070188
Product Name:	4'-Chloroacetophenone semicarbazone
CAS:	7575-74-8
Synonyms:	4'-chloroacetophenone semicarbazone; [(E)-[1-(4-chlorophenyl)ethylidene]amino]urea; [(E)-1-(4-chlorophenyl)ethylideneamino]urea; 3N-004; 2-[(E)-1-(4-chlorophenyl)ethylidene]-1-hydrazinecarboxamide; (1E)-1-(4-Chlorophenyl)ethan-1-one semicarbazone

Technical Data

Computed Properties

IUPAC Name:	[(E)-1-(4-chlorophenyl)ethylideneamino]urea
Description:	4'-Chloroacetophenone semicarbazone
Molecular Weight:	211.65
Molecular Formula:	C9H10ClN3O
Canonical SMILES:	CC(=NNC(=O)N)C1=CC=C(C=C1)Cl
InChI:	InChI=1S/C9H10ClN3O/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6+
InChI Key:	NRVQPAZCFBJKNE-WUXMJOGZSA-N

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Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	211.0512396
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	211.0512396
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4