3-Chloro-7-nitroindole

CAT: 0127-OR912798-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR912798-01Size:250 mg

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CAS Number

165669-14-7

MDL Number

MFCD02684149

Purity

95%

Smiles

[O-][N+](=O)c1cccc2c(Cl)c[nH]c12

Chemical Information

3-chloro-7-nitro-1H-indole

CAS Number	165669-14-7
PubChem CID	11622503
IUPAC Name	3-chloro-7-nitro-1H-indole
Molecular Formula	C8H5ClN2O2
Molecular Weight	196.59
XLogP	2.5
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	219

SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2Cl

InChI

InChI=1S/C8H5ClN2O2/c9-6-4-10-8-5(6)2-1-3-7(8)11(12)13/h1-4,10H

InChIKey

QDGYVAQMPDTWIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 165669-14-7

CID: 11622503

Formula: C8H5ClN2O2

MW: 196.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.59
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	196.0039551
Monoisotopic Mass	196.0039551
Topological Polar Surface Area	61.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219
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
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OR923916-01	4-Nitroindole-3-carboxaldehyde
OR96565-01	3-Bromo-5-nitroindole
OR92829-01	Methyl 6-nitroindole-3-carboxylate
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Catalog	Name
abx181940-01	3-Chloro-7-nitroindole
FN02020-01	7-Nitroindole
sc-319674	7-Chloro-2-methyl-4-nitroindole
266093-01	3-Bromo-7-Nitroindole
sc-300096A	7-Nitroindole-3-carboxaldehyde
sc-308688	2-tert-Butyl-7-chloro-4-nitroindole
sc-298591	2,3-Dimethyl-7-nitroindole
234959-01	7-Nitroindole-3-carboxaldehyde ≥95% (HPLC)
231738-01	3-Bromo-7-Nitroindole ≥95% (NMR)
408903-01	1-Boc-3-bromo-7-nitroindole