NPBA

CAT: 0607-BA6892-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6892-5Size:5 mg

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

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CAS Number

524033-40-7

Form

A solid

Molecular Formula

C16H14F3N3O3

Molecular Weight

353.30

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-(2-((4-nitro-2-(trifluoromethyl)phenyl)amino)ethyl)benzamide

CAS Number	524033-40-7
PubChem CID	2930995
IUPAC Name	N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide
Molecular Formula	C16H14F3N3O3
Molecular Weight	353.30
XLogP	3.6
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	462

SMILES

C1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3/c17-16(18,19)13-10-12(22(24)25)6-7-14(13)20-8-9-21-15(23)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2,(H,21,23)

InChIKey

LUJDPMMSYZQCHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 524033-40-7

CID: 2930995

Formula: C16H14F3N3O3

MW: 353.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.30
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	353.09872580
Monoisotopic Mass	353.09872580
Topological Polar Surface Area	87 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	462
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

Catalog	Name
HY-139064-01	NPBA