KL044

CAT: 0607-BA7239-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7239-25Size:25 mg

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

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CAS Number

1801856-93-8

Form

A solid

Molecular Formula

C21H14ClN3O

Molecular Weight

359.81

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-(9H-carbazol-9-yl)-N-(2-chloro-6-cyanophenyl)acetamide

stabilizes cryptochrome protein; structure in first source

CAS Number	1801856-93-8
PubChem CID	91827381
IUPAC Name	2-carbazol-9-yl-N-(2-chloro-6-cyanophenyl)acetamide
Molecular Formula	C21H14ClN3O
Molecular Weight	359.8
XLogP	5.2
Topological Polar Surface Area	57.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	551

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(=O)NC4=C(C=CC=C4Cl)C#N

InChI

InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)

InChIKey

ZDAKKNHUWVTCRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1801856-93-8

CID: 91827381

Formula: C21H14ClN3O

MW: 359.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.8
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	359.0825398
Monoisotopic Mass	359.0825398
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	551
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
MBS5781970	KL044