Jnj 63533054

C17H17ClN2O2CAS 1802326-66-4316.78 g/mol

Open in Covalent MOL file
NHOHNOCl
AmideAryl halide

Properties

Molecular formula
C17H17ClN2O2
Molar mass
316.78 g/mol
Exact mass
316.0979 Da
logP
2.95Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
1802326-66-4
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
InChIKey
MWDVCHRYCKXEBY-LBPRGKRZSA-N
InChI
InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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