Basic information
- CAS
5600-63-5- Standard SMILES
O=C(Cl)CCCc1ccc([N+](=O)[O-])cc1- InChIKey
LQGNQUFFXKOHBQ-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO3
- Average molar mass
- 227.64 g/mol
- Monoisotopic mass
- 227.0349209
Names & identifiers
- Preferred name
- 4-(4-Nitrophenyl)butyryl chloride
- IUPAC
- 4-(4-nitrophenyl)butanoyl chloride
- English name
- 4-(4-nitrophenyl)butyryl chloride
- Molecular formula
- C10H10ClNO3
- Molecular weight
- 227.6443
Names & synonyms
4-(4-Nitrophenyl)butyryl chloride4-(4-nitrophenyl)butanoyl chloride5600-63-5EINECS 227-020-44-p-nitrophenylbutyryl chlorideSCHEMBL5030925DTXSID70204573NS00033444Benzenebutanoyl chloride, 4-nitro-4-Nitrobenzenebutanoic acid chloride
Database identifiers
- CAS
5600-63-5- PubChem CID
- 79712
- DTXSID
DTXSID70204573- EC Number
- 227-020-4
- Nikkaji
- J225.050K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
5 records
Compound notes
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