BRD73954

CAT: 0127-BUP13116-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13116-02Size:50 mg

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

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CAS Number

1440209-96-0

Purity

=98%

Smiles

C(NCCC1=CC=CC=C1)(=O)C2=CC(C(NO)=O)=CC=C2

Chemical Information

3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide

CAS Number	1440209-96-0
PubChem CID	71680913
IUPAC Name	3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
Molecular Formula	C16H16N2O3
Molecular Weight	284.31
XLogP	1.9
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	353

SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(=O)NO

InChI

InChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)

InChIKey

FIHKWEQJEDRIFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1440209-96-0

CID: 71680913

Formula: C16H16N2O3

MW: 284.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.31
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	284.11609238
Monoisotopic Mass	284.11609238
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	353
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