Belumosudil Impurity 63

CAT: 1299-RM-B235063-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B235063-01Size:10 mg

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

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CAS Number

2832849-74-6

Synonyms

Tert-butyl 5-nitroso-1H-indazole-1-carboxylate

Molecular Formula

C12H13N3O3

Molecular Weight

247.25

Target Alternative Name

Belumosudil

Chemical Information

tert-Butyl 5-Nitroso-1H-indazole-1-carboxylate

CAS Number	2832849-74-6
PubChem CID	147139821
IUPAC Name	tert-butyl 5-nitrosoindazole-1-carboxylate
Molecular Formula	C12H13N3O3
Molecular Weight	247.25
XLogP	2.2
Topological Polar Surface Area	73.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	340

SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)N=O)C=N1

InChI

InChI=1S/C12H13N3O3/c1-12(2,3)18-11(16)15-10-5-4-9(14-17)6-8(10)7-13-15/h4-7H,1-3H3

InChIKey

BRWRNNSULLFWML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2832849-74-6

CID: 147139821

Formula: C12H13N3O3

MW: 247.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.25
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	247.09569129
Monoisotopic Mass	247.09569129
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	340
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
CS-O-61093	N-Nitroso Belumosudil Impurity 1
abx283258-01	Belumosudil
HY-15307R-01	Belumosudil (Standard)
MBS5800010	Belumosudil mesylate
S7936-25mg	Belumosudil (KD025)
CS-CX-00785	Belumosudil 13C6
HY-164809	Desisopropyle-belumosudil
AR-B06142-01	Belumosudil-d7
HY-15307A-01	Belumosudil (mesylate)