Cas no 2159-38-8 (Benzoicacid, 2-(3-nitrobenzoyl)-)
2159-38-8 structure
Product Name:Benzoicacid, 2-(3-nitrobenzoyl)-
CAS No:2159-38-8
MF:C14H9NO5
MW:271.224963903427
CID:291191
PubChem ID:244684
Update Time:2025-04-19
Benzoicacid, 2-(3-nitrobenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 2-(3-nitrobenzoyl)-
- 2-(3-nitrobenzoyl)benzoic acid
- 2-(3-Nitro-benzoyl)-benzoesaeure
- 2-(3'-nitrobenzoyl)benzoic acid
- 2-(3-nitrobenzoyl)-benzoic acid
- 2-(3-nitro-benzoyl)-benzoic acid
- 2-[(3-nitrophenyl)carbonyl]benzoic acid
- 3'-Nitro-benzophenon-carbonsaeure-(2)
- AC1L6E8J
- AC1Q5B12
- NCIOpen2_002234
- NSC55778
- o-(m-nitrobenzoyl)benzoic acid
- SBB023380
- SureCN6632890
- NSC-55778
- FT-0732705
- DTXSID30288415
- CHEMBL2059071
- SCHEMBL6632890
- 2159-38-8
- AKOS000313032
- AKOS015922665
-
- Inchi： 1S/C14H9NO5/c16-13(9-4-3-5-10(8-9)15(19)20)11-6-1-2-7-12(11)14(17)18/h1-8H,(H,17,18)
- InChI Key： SQDUMZPMFYAAOC-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C=1)[N+](=O)[O-])C1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 271.04807
- Monoisotopic Mass: 271.048072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 403
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 100
Experimental Properties
- Density: 1.413
- Boiling Point: 517.4°Cat760mmHg
- Flash Point: 220.5°C
- Refractive Index: 1.644
- PSA: 97.51
- LogP: 3.04720
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