Cas no 227466-91-3 (2H-1-Benzopyran-2-carbonylchloride, 3,4-dihydro-, (2R)-)
227466-91-3 structure
Product Name:2H-1-Benzopyran-2-carbonylchloride, 3,4-dihydro-, (2R)-
CAS No:227466-91-3
MF:C10H9ClO2
MW:196.630262136459
CID:244957
PubChem ID:45081727
Update Time:2025-04-19
2H-1-Benzopyran-2-carbonylchloride, 3,4-dihydro-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-carbonylchloride, 3,4-dihydro-, (2R)-
- (-)-(R)-3,4-dihydro-2H-1-benzopyran-2-carbonyl chloride
- (2R)-3,4-Dihydro-2H-chromene-2-carbonylchloride
- (R)-chroman-2-carboxylic acid chloride
- AG-E-65346
- CTK1A0268
- UXOHRZNOVPCNMD-SECBINFHSA-N
- (2R)-3,4-Dihydro-2H-1-benzopyran-2-carbonyl chloride
- SCHEMBL5722756
- DTXSID30664811
- 2H-1-Benzopyran-2-carbonylchloride,3,4-dihydro-,(2R)-(9CI)
- 227466-91-3
-
- Inchi： 1S/C10H9ClO2/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2/t9-/m1/s1
- InChI Key： UXOHRZNOVPCNMD-SECBINFHSA-N
- SMILES： ClC([C@H]1CCC2C=CC=CC=2O1)=O
Computed Properties
- Exact Mass: 196.02917
- Monoisotopic Mass: 196.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- PSA: 26.3
- LogP: 2.14560
2H-1-Benzopyran-2-carbonylchloride, 3,4-dihydro-, (2R)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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