Cas no 1125-82-2 (6-chloro-Pteridine)
6-chloro-Pteridine structure
Product Name:6-chloro-Pteridine
CAS No:1125-82-2
MF:C6H3ClN4
MW:166.567818880081
CID:1099302
PubChem ID:23424051
Update Time:2025-04-20
6-chloro-Pteridine Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-Pteridine
- 6-chloropteridine
- SCHEMBL3862427
- Pteridine, 6-chloro-
- 1125-82-2
- DTXSID30633946
-
- Inchi： 1S/C6H3ClN4/c7-5-2-9-6-4(11-5)1-8-3-10-6/h1-3H
- InChI Key： YAVYBQFUSWPIQK-UHFFFAOYSA-N
- SMILES： ClC1=CN=C2C(C=NC=N2)=N1
Computed Properties
- Exact Mass: 166.0046238g/mol
- Monoisotopic Mass: 166.0046238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 143
- 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: 0.8
- Topological Polar Surface Area: 51.6?2
6-chloro-Pteridine Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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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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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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