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C19H12F4N4O2CAS 745833-23-2404.32 g/mol

Open in Covalent MOL file
FNNONH2FFOH2NF
AmideAryl halideUrea

Properties

Molecular formula
C19H12F4N4O2
Molar mass
404.32 g/mol
Exact mass
404.0896 Da
logP
3.62Crippen estimate
Polar surface area
102.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

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, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
745833-23-2
SMILES
C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F
InChIKey
FYSRKRZDBHOFAY-UHFFFAOYSA-N
InChI
InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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