Basic information
- CAS
6952-13-2- Standard SMILES
N#CCc1c[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
BAYBZUUQTBZGPJ-UHFFFAOYSA-N- Molecular formula
- C10H7N3O2
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.05382648
Names & identifiers
- Preferred name
- 2-(5-nitro-1H-indol-3-yl)acetonitrile
- IUPAC
- 2-(5-nitro-1H-indol-3-yl)acetonitrile
- English name
- 5-NITRO-3-INDOLYLACETONITRILE
- Molecular formula
- C10H7N3O2
- Molecular weight
- 201.18
Names & synonyms
6952-13-22-(5-nitro-1H-indol-3-yl)acetonitrile5-Nitroindole-3-acetonitrile5-Nitro-3-indolylacetonitrile5-Nitro-1H-indole-3-acetonitrileMFCD04972094(5-Nitro-1H-indol-3-yl)acetonitrileMLS002693413(5-Nitro-1H-indol-3-yl)acetonitrile; NSC 63021;5-Nitro-3-indolyacetonitrileNSC63021NSC 63021
Show more names
5-Nitro-3-indolacetonitrile1H-Indole-3-acetonitrile, 5-nitro-
NCIOpen2_002586SCHEMBL2536513CHEMBL1894314DTXSID10289703BAYBZUUQTBZGPJ-UHFFFAOYSA-NHMS3079H18NSC-63021AKOS011637542
Database identifiers
- CAS
6952-13-2- PubChem CID
- 247754
- DTXSID
DTXSID10289703- ChEMBL
CHEMBL1894314- Nikkaji
- J371.045I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 187 · 187-189°C
- solubility
- Chloroform, Dichloromethane
- form
- Solid
- color
- Yellow
- CAS DataBase Reference
- 6952 · 6952-13-2
Chemistry & industry
Applications
Uses5-Nitro-3-indolylacetonitrile (cas# 6952-13-2) is a compound useful in organic synthesis.
Suppliers17 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Related reactions
8 records
Compound notes
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