Cas no 10463-17-9 (Benzoic acid,4-hydroxy-3-iodo-5-nitro-)
10463-17-9 structure
Product Name:Benzoic acid,4-hydroxy-3-iodo-5-nitro-
CAS No:10463-17-9
MF:C7H4INO5
MW:309.014834403992
CID:118619
PubChem ID:23083494
Update Time:2025-04-18
Benzoic acid,4-hydroxy-3-iodo-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-hydroxy-3-iodo-5-nitro-
- 4-Hydroxy-3-iodo-5-nitrobenzoic acid
- 10463-17-9
- DTXSID10630418
- SCHEMBL3767693
-
- Inchi： 1S/C7H4INO5/c8-4-1-3(7(11)12)2-5(6(4)10)9(13)14/h1-2,10H,(H,11,12)
- InChI Key： OVNWFZWJHJVRGG-UHFFFAOYSA-N
- SMILES： IC1C=C(C(=O)O)C=C(C=1O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 308.91292
- Monoisotopic Mass: 308.91342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 2.1
- Topological Polar Surface Area: 103?2
Experimental Properties
- PSA: 100.67
- LogP: 2.12640
Benzoic acid,4-hydroxy-3-iodo-5-nitro- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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