WWL-154 200mg

CAT: 0628-A22532-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A22532-200Size:200 mg

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

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CAS Number

1338574-93-8

Chemical Information

4-Nitrophenyl 4-(4-methoxyphenyl)piperazine-1-carboxylate

CAS Number	1338574-93-8
PubChem CID	46829229
IUPAC Name	(4-nitrophenyl) 4-(4-methoxyphenyl)piperazine-1-carboxylate
Molecular Formula	C18H19N3O5
Molecular Weight	357.4
XLogP	3.1
Topological Polar Surface Area	87.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	474

SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-25-16-6-2-14(3-7-16)19-10-12-20(13-11-19)18(22)26-17-8-4-15(5-9-17)21(23)24/h2-9H,10-13H2,1H3

InChIKey

TULVXRNEEQWFGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1338574-93-8

CID: 46829229

Formula: C18H19N3O5

MW: 357.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.4
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	357.13247072
Monoisotopic Mass	357.13247072
Topological Polar Surface Area	87.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	474
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