(1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride

C8H7ClN2O3 — CID 23159814

IUPAC(1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride
SMILESCc1cc(/C(Cl)=N/O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN2O3/c1-5-4-6(8(9)10-12)2-3-7(5)11(13)14/h2-4,12H,1H3/b10-8-
InChIKeyLMHLDPXHODOJAQ-NTMALXAHSA-N
MW214.61 g/mol
LogP2.28
Rot. Bonds2

About (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride

(1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride (PubChem CID 23159814) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride
PubChem CID23159814
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name(1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride
SMILESCc1cc(/C(Cl)=N/O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN2O3/c1-5-4-6(8(9)10-12)2-3-7(5)11(13)14/h2-4,12H,1H3/b10-8-
InChIKeyLMHLDPXHODOJAQ-NTMALXAHSA-N
XLogP2.28
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-N-hydroxy-2-(3-methyl-4-nitrophenyl)-2-oxoethanimidoyl chloride
CID 58370468
(NE)-N-[1-(3-methyl-4-nitrophenyl)ethylidene]hydroxylamine
CID 172974289
(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
CID 12730139
3-chloro-1-(3-methyl-4-nitrophenyl)propan-1-one
CID 134628673
N'-hydroxy-3-methyl-4-nitrobenzenecarboximidamide;3-methyl-4-nitrobenzonitrile
CID 158939002
(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 2857981
methanesulfonic acid;3-methyl-4-nitrobenzoic acid
CID 159529273
(NE)-N-[(3-methyl-4-nitrophenyl)methylidene]hydroxylamine
CID 59034617
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183
N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 7910668
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
1-(3-methyl-4-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 61078266

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride (CID 23159814) is (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride is Cc1cc(/C(Cl)=N/O)ccc1[N+](=O)[O-].
What is the InChIKey of (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride?
The InChIKey is LMHLDPXHODOJAQ-NTMALXAHSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c1-5-4-6(8(9)10-12)2-3-7(5)11(13)14/h2-4,12H,1H3/b10-8-.
What are the key properties of (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride?
(1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride has a molecular weight of 214.61 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride is sourced from PubChem (CID 23159814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).