Indazole Related Compound 4

CAT: 1596-AR-I03520-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03520-01Size:10 Units

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CAS Number

1801267-04-8

Molecular Formula

C8H6ClN3O2

Molecular Weight

211.61

API Name

Indazole

Chemical Information

6-Chloro-2-methyl-5-nitro-2H-indazole

CAS Number	1801267-04-8
PubChem CID	118226636
IUPAC Name	6-chloro-2-methyl-5-nitroindazole
Molecular Formula	C8H6ClN3O2
Molecular Weight	211.60
XLogP	2
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	245

SMILES

CN1C=C2C=C(C(=CC2=N1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H6ClN3O2/c1-11-4-5-2-8(12(13)14)6(9)3-7(5)10-11/h2-4H,1H3

InChIKey

CHLANRNBFOWJBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1801267-04-8

CID: 118226636

Formula: C8H6ClN3O2

MW: 211.60

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	211.60
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	211.0148541
Monoisotopic Mass	211.0148541
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	245
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
AR-I03518-01	Indazole Related Compound 2
AR-I03525-01	Indazole Related Compound 9
AR-I03517-01	Indazole Related Compound 1
AR-I03524-01	Indazole Related Compound 8
AR-I03519-01	Indazole Related Compound 3
AR-I03523-01	Indazole Related Compound 7
AR-I03521-01	Indazole Related Compound 5
AR-I03522-01	Indazole Related Compound 6
AR-I03526-01	Indazole Related Compound 9 DiHCl
AR-I01350-01	Imidafenacin Related Compound 4

Catalog	Name
CS-EG-03533	Tramadol Related Compound A
LBA32143-01	Naphazoline Related Compound A
KCA72991-01	Trimethoprim Related Compound A
IH181667-01	Hyoscyamine related compound A
FCA19889-01	Clonazepam related compound A
GAA53882-01	Levocarnitine Related Compound A
GAA34172-01	Flurbiprofen Related Compound A
ABA45153-01	Felbamate Related Compound A
CS-CY-00056	Travoprost Related Compound A
CS-O-14111	Tranylcypromine Related Compound A