2-Fluoro-6-nitro-N-phenylbenzamide - CAS 870281-83-7

Catalog:	BB063435
Product Name:	2-Fluoro-6-nitro-N-phenylbenzamide
CAS:	870281-83-7
Synonyms:	2-FLUORO-6-NITRO-N-PHENYLBENZAMIDE; Benzamide, 2-fluoro-6-nitro-N-phenyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-fluoro-6-nitro-N-phenylbenzamide
Molecular Weight:	260.22
Molecular Formula:	C13H9FN2O3
Canonical SMILES:	C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)[N+](=O)[O-]
InChI:	InChI=1S/C13H9FN2O3/c14-10-7-4-8-11(16(18)19)12(10)13(17)15-9-5-2-1-3-6-9/h1-8H,(H,15,17)
InChI Key:	GQVRPSFDUVNMDA-UHFFFAOYSA-N

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.05972032
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.05972032
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7