ICA-105574

CAT: 0607-BA6886-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6886-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

316146-57-3

Form

A solid

Molecular Formula

C19H14N2O4

Molecular Weight

334.33

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ica-105574

CAS Number	316146-57-3
PubChem CID	715924
IUPAC Name	3-nitro-N-(4-phenoxyphenyl)benzamide
Molecular Formula	C19H14N2O4
Molecular Weight	334.3
XLogP	4.1
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	451

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O4/c22-19(14-5-4-6-16(13-14)21(23)24)20-15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)

InChIKey

GDWKBKTVROCPNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 316146-57-3

CID: 715924

Formula: C19H14N2O4

MW: 334.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.3
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	334.09535693
Monoisotopic Mass	334.09535693
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	451
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes