PNU-282987 free base 25mg

CAT: 0628-A22518-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A22518-25Size:25 mg

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CAS Number

711085-63-1

Chemical Information

PNU-282987 free base

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide is an organohalogen compound and a carbonyl compound.

CAS Number	711085-63-1
PubChem CID	9795278
IUPAC Name	N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide
Molecular Formula	C14H17ClN2O
Molecular Weight	264.75
XLogP	2.4
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	307

SMILES

C1CN2CCC1[C@H](C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1

InChIKey

WECKJONDRAUFDD-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 711085-63-1

CID: 9795278

Formula: C14H17ClN2O

MW: 264.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.75
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	264.1029409
Monoisotopic Mass	264.1029409
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	307
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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