STING-IN-7

CAT: 0607-BA6271-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6271-5Size:5 mg

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CAS Number

899947-07-0

Form

A solid

Molecular Formula

C16H14ClN3O

Molecular Weight

299.75

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea

CAS Number	899947-07-0
PubChem CID	7616083
IUPAC Name	1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea
Molecular Formula	C16H14ClN3O
Molecular Weight	299.75
XLogP	3.6
Topological Polar Surface Area	56.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	379

SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CNC3=CC=CC=C32)Cl

InChI

InChI=1S/C16H14ClN3O/c1-10-6-7-11(8-13(10)17)19-16(21)20-15-9-18-14-5-3-2-4-12(14)15/h2-9,18H,1H3,(H2,19,20,21)

InChIKey

FWAWUBPOSFYSMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 899947-07-0

CID: 7616083

Formula: C16H14ClN3O

MW: 299.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.75
XLogP3	3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	299.0825398
Monoisotopic Mass	299.0825398
Topological Polar Surface Area	56.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379
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

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