CAS
947601-09-1 Purity
96%
947601-09-1 Purity
96%
Shopping basket
3-Nitrodibenzo[b,d]thiophene
CAS
94764-55-3
Catalog Number
ACM94764553
Category
Other Products
Molecular Weight
229.2583
Molecular Formula
C12H7NO2S
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
2-Nitro-9-thiafluorene, 4-Nitro-[1,1'-biphenyl]-2,2-diyl sulphide
IUPAC Name
3-nitrodibenzothiophene
Canonical SMILES
C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)[N+](=O)[O-]
InChI Key
ZPEZGWPZHITXSF-UHFFFAOYSA-N
Boiling Point
422.5ºC at 760 mmHg
Flash Point
209.3ºC
Density
1.441g/cm³
Exact Mass
229.02000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Nitrodibenzo[b,d]thiophene?
The molecular formula of 3-Nitrodibenzo[b,d]thiophene is C12H7NO2S.
When was the PubChem CID for 3-Nitrodibenzo[b,d]thiophene created?
The PubChem CID for 3-Nitrodibenzo[b,d]thiophene was created on 2005-08-08.
What is the computed IUPAC name for 3-Nitrodibenzo[b,d]thiophene?
The computed IUPAC name for 3-Nitrodibenzo[b,d]thiophene is 3-nitrodibenzothiophene.
What is the InChIKey for 3-Nitrodibenzo[b,d]thiophene?
The InChIKey for 3-Nitrodibenzo[b,d]thiophene is ZPEZGWPZHITXSF-UHFFFAOYSA-N.
What is the molecular weight of 3-Nitrodibenzo[b,d]thiophene?
The molecular weight of 3-Nitrodibenzo[b,d]thiophene is 229.26 g/mol.
How many hydrogen bond acceptors does 3-Nitrodibenzo[b,d]thiophene have?
3-Nitrodibenzo[b,d]thiophene has 3 hydrogen bond acceptors.
What is the topological polar surface area of 3-Nitrodibenzo[b,d]thiophene?
The topological polar surface area of 3-Nitrodibenzo[b,d]thiophene is 74.1 Å^2.
How many rotatable bonds does 3-Nitrodibenzo[b,d]thiophene have?
3-Nitrodibenzo[b,d]thiophene has 0 rotatable bonds.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the Nikkaji Number of 3-Nitrodibenzo[b,d]thiophene?
The Nikkaji Number of 3-Nitrodibenzo[b,d]thiophene is J824.413H.
Recommended Products
![Ethyl2-[(2-piperidin-1-ylacetyl)carbamoyl]-2-(piperidin-1-ylmethyl)butanoate](https://resource.alfa-chemistry.com/structure/94763-82-3.gif)
CAS
94763-82-3 Purity
96%
94763-82-3 Purity
96%
CAS
94765-62-5 Purity
---
94765-62-5 Purity
---
CAS
947661-79-2 Purity
96%
947661-79-2 Purity
96%
