Cas no 155669-77-5 (1,4-Naphthalenedione,2-chloro-3-(chloroamino)-)
155669-77-5 structure
Product Name:1,4-Naphthalenedione,2-chloro-3-(chloroamino)-
CAS No:155669-77-5
MF:C10H5Cl2NO2
MW:242.058200597763
CID:203704
PubChem ID:469396
Update Time:2025-04-19
1,4-Naphthalenedione,2-chloro-3-(chloroamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-chloro-3-(chloroamino)-
- 2-chloro-3-(chloroamino)naphthalene-1,4-dione
- 1,4-Naphthalenedione, 2-chloro-3-(chloroamino)-
- N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hypochlorous amide
- DTXSID00935267
- 155669-77-5
-
- Inchi： 1S/C10H5Cl2NO2/c11-7-8(13-12)10(15)6-4-2-1-3-5(6)9(7)14/h1-4,13H
- InChI Key： NMKFCUZEFPRPJX-UHFFFAOYSA-N
- SMILES： ClC1C(C2C=CC=CC=2C(C=1NCl)=O)=O
Computed Properties
- Exact Mass: 240.96985
- Monoisotopic Mass: 240.9697338g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 351
- 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: 2.9
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
1,4-Naphthalenedione,2-chloro-3-(chloroamino)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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