SLV-2436

CAT: 0607-BA6510-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6510-50Size:50 mg

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

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CAS Number

2095704-43-9

Form

A solid

Molecular Formula

C19H15ClN4O

Molecular Weight

350.80

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

5-(3-Amino-1H-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one

CAS Number	2095704-43-9
PubChem CID	129052025
IUPAC Name	5-(3-amino-1H-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one
Molecular Formula	C19H15ClN4O
Molecular Weight	350.8
XLogP	3
Topological Polar Surface Area	75
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	578

SMILES

C1=CC(=CC(=C1)Cl)CN2C=C(C=CC2=O)C3=CC4=C(C=C3)C(=NN4)N

InChI

InChI=1S/C19H15ClN4O/c20-15-3-1-2-12(8-15)10-24-11-14(5-7-18(24)25)13-4-6-16-17(9-13)22-23-19(16)21/h1-9,11H,10H2,(H3,21,22,23)

InChIKey

YQVUADHJKWJHAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2095704-43-9

CID: 129052025

Formula: C19H15ClN4O

MW: 350.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.8
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	350.0934388
Monoisotopic Mass	350.0934388
Topological Polar Surface Area	75 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	578
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