N-hydroxy-2-methoxybenzenecarboximidoyl chloride

C8H8ClNO2 — CID 57353351

IUPACN-hydroxy-2-methoxybenzenecarboximidoyl chloride
SMILESCOc1ccccc1C(Cl)=NO
InChIInChI=1S/C8H8ClNO2/c1-12-7-5-3-2-4-6(7)8(9)10-11/h2-5,11H,1H3
InChIKeyKVDMQNUSKPRBGU-UHFFFAOYSA-N
MW185.61 g/mol
LogP2.07
Rot. Bonds2

About N-hydroxy-2-methoxybenzenecarboximidoyl chloride

N-hydroxy-2-methoxybenzenecarboximidoyl chloride (PubChem CID 57353351) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is N-hydroxy-2-methoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-2-methoxybenzenecarboximidoyl chloride
PubChem CID57353351
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC NameN-hydroxy-2-methoxybenzenecarboximidoyl chloride
SMILESCOc1ccccc1C(Cl)=NO
InChIInChI=1S/C8H8ClNO2/c1-12-7-5-3-2-4-6(7)8(9)10-11/h2-5,11H,1H3
InChIKeyKVDMQNUSKPRBGU-UHFFFAOYSA-N
XLogP2.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-Methoxybenzaldehyde Oxime
CID 5371961
2-Methoxybenzaldehyde oxime
CID 6861468
p-Anisaldehyde, oxime, (Z)-
CID 5371924
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
1-(2-Methoxyphenyl)ethan-1-one oxime
CID 9601268
3-Methoxy-benzaldehyde oxime
CID 9601243
4-Methoxybenzaldoxime
CID 94712
(E)-2-(allyloxy)benzaldehyde oxime
CID 6867701
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 11229314
2-(Chloromethyl)anisole
CID 81495
4-chloro-2,2-dimethyl-2H-1,3-benzoxazine
CID 602084

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methoxybenzenecarboximidoyl chloride?
The IUPAC name of N-hydroxy-2-methoxybenzenecarboximidoyl chloride (CID 57353351) is N-hydroxy-2-methoxybenzenecarboximidoyl chloride.
What is the SMILES notation for N-hydroxy-2-methoxybenzenecarboximidoyl chloride?
The canonical SMILES for N-hydroxy-2-methoxybenzenecarboximidoyl chloride is COc1ccccc1C(Cl)=NO.
What is the InChIKey of N-hydroxy-2-methoxybenzenecarboximidoyl chloride?
The InChIKey is KVDMQNUSKPRBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-12-7-5-3-2-4-6(7)8(9)10-11/h2-5,11H,1H3.
What are the key properties of N-hydroxy-2-methoxybenzenecarboximidoyl chloride?
N-hydroxy-2-methoxybenzenecarboximidoyl chloride has a molecular weight of 185.61 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 57353351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).