G108

CAT: 0127-BUP03423-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03423-06Size:200 mg

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

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CAS Number

2369750-66-1

Synonyms

G-108, G 108

Purity

=98%

Smiles

O=C(N1CC=2C=3C(=CC(Cl)=C(Cl)C3NC2CC1)C=4C=NNC4)CO

Chemical Information

1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one

CAS Number	2369750-66-1
PubChem CID	138393371
IUPAC Name	1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
Molecular Formula	C16H14Cl2N4O2
Molecular Weight	365.2
XLogP	1.9
Topological Polar Surface Area	85
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	497

SMILES

C1CN(CC2=C1NC3=C2C(=CC(=C3Cl)Cl)C4=CNN=C4)C(=O)CO

InChI

InChI=1S/C16H14Cl2N4O2/c17-11-3-9(8-4-19-20-5-8)14-10-6-22(13(24)7-23)2-1-12(10)21-16(14)15(11)18/h3-5,21,23H,1-2,6-7H2,(H,19,20)

InChIKey

UUDFSTGSYHGEEV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2369750-66-1

CID: 138393371

Formula: C16H14Cl2N4O2

MW: 365.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.2
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	364.0493811
Monoisotopic Mass	364.0493811
Topological Polar Surface Area	85 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	497
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
T69663-01	G108