structure of 4-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

4-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

CAS No.: 1000340-43-1
M. Wt: 191.144
M. Fa: C8H5N3O3
InChI Key: QHIWEPWOESELKM-UHFFFAOYSA-N

Names and Identifiers of 1000340-43-1

CAS Number

1000340-43-1

MDL Number

MFCD09880137

IUPAC Name

4-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

InChI

InChI=1S/C8H5N3O3/c12-4-5-3-10-8-7(5)6(11(13)14)1-2-9-8/h1-4H,(H,9,10)

InChIKey

QHIWEPWOESELKM-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C2C(=C1[N+](=O)[O-])C(=CN2)C=O

UNSPSC Code

12352100

Physical and chemical properties of 1000340-43-1

Boiling Point

466.3±40.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

191.033096

Flash Point

235.8±27.3 °C

H Bond Acceptors

4

H Bond Donors

1

Index of Refraction

1.783

LogP

1.19

Molecular Formula

C8H5N3O3

Molecular Weight

191.144

PSA

91.57000

Vapour Pressure

0.0±1.2 mmHg at 25°C

Safety Information of 1000340-43-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
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