N-Hydroxybenzenecarboximidoyl chloride

C7H6ClNOCAS 698-16-8155.58 g/mol

Open in Covalent MOL file
NOHCl
Oxime

Properties

Molecular formula
C7H6ClNO
Molar mass
155.58 g/mol
Exact mass
155.0138 Da
logP
2.06Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Double bonds
ZE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
698-16-8
SMILES
C1=CC=C(C=C1)/C(=N/O)/Cl
InChIKey
GYHKODORJRRYBU-CLFYSBASSA-N
InChI
InChI=1S/C7H6ClNO/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H/b9-7-

Weigh it out

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Names and synonyms

1 names
  • Alpha-chlorobenzaldoxime

Work with N-Hydroxybenzenecarboximidoyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenylglyoxime23873-81-656 % similar Diphenyl ketoxime574-66-356 % similar Benzohydroxamic acid495-18-152 % similar Acetophenonoxime613-91-250 % similar Benzyl phenyl ketoxime952-06-747 % similar Benzoyl chloride98-88-444 % similar 1-Phenyl-1,2-propanedione 2-oxime119-51-742 % similar (+-)-Benzoin oxime441-38-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-chlorobenzaldehyde20028-53-9 1-(2-Chloro-pyridin-4-yl)-ethanone23794-15-2 2-Chlorobenzaldehyde oxime3717-28-0 3-Acetyl-2-chloropyridine55676-21-6 2-Chloro-5-acetylpyridine55676-22-7 2-Chlorobenzamide609-66-5 3-Chlorobenzamide618-48-4 4-Chlorobenzamide619-56-7

Elsewhere

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