6-Nitro-1H-indole-3-carbonitrile

HCID 283179
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
4769-99-7
Standard SMILES
N#Cc1c[nH]c2cc([N+](=O)[O-])ccc12
InChIKey
ZYNGQQUAXSHFSR-UHFFFAOYSA-N
Molecular formula
C9H5N3O2
Average molar mass
187.15 g/mol
Monoisotopic mass
187.0381764

Names & identifiers

Preferred name
6-Nitro-1H-indole-3-carbonitrile
IUPAC
6-nitro-1H-indole-3-carbonitrile
English name
6-Nitro-1H-indole-3-carbonitrile
Molecular formula
C9H5N3O2
Molecular weight
187.15

Names & synonyms

6-nitro-1H-indole-3-carbonitrile4769-99-7DTXSID10300543RefChem:309158DTXCID20251678MFCD155271531H-Indole-3-carbonitrile, 6-nitro-3-cyano-6-nitroindoleSCHEMBL3969516-Nitro-indole-3-carbonitrileZYNGQQUAXSHFSR-UHFFFAOYSA-N6-nitro-1 H-indole-3-carbonitrile
Show more names
PS-18070SY260911DB-318162F536925A1-08598

Database identifiers

CAS
4769-99-7
PubChem CID
283179
DTXSID
DTXSID10300543
Nikkaji
J2.025.655I

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
85.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Boiling point
452.9 · 452.9±25.0 °C(Predicted)
Density
1.48 · 1.48±0.1 g/cm3(Predicted)
pka
12.37 · 12.37±0.30(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers21 total

上海策嵘生物科技有限公司[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州启航生物科技有限公司18151111370

Related reactions

47 records
New reaction record

Compound notes

Loading…