Cas no 20044-86-4 (Ethanone,2-chloro-1-(3,4-dihydro-4-phenyl-1,5-benzothiazepin-5(2H)-yl)-)
20044-86-4 structure
Product Name:Ethanone,2-chloro-1-(3,4-dihydro-4-phenyl-1,5-benzothiazepin-5(2H)-yl)-
CAS No:20044-86-4
MF:C7H4BrNO4
MW:246.014961242676
CID:287954
PubChem ID:618699
Update Time:2025-04-19
Ethanone,2-chloro-1-(3,4-dihydro-4-phenyl-1,5-benzothiazepin-5(2H)-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-chloro-1-(3,4-dihydro-4-phenyl-1,5-benzothiazepin-5(2H)-yl)-
- 1,5-Benzothiazepine,5-(chloroacetyl)-2,3,4,5-tetrahydro-4-phenyl- (8CI)
- 5-Bromo-2-hydroxy-3-nitro-benzaldehyde
- B0908
- J-010273
- AKOS000273148
- 20044-86-4
- FT-0683810
- SCHEMBL928630
- InChI=1/C7H4BrNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11
- Z274774388
- Benzaldehyde, 5-bromo-2-hydroxy-3-nitro-
- 5-Bromo-3-nitrosalicyladehyde
- Salicylaldehyde, 5-bromo-3-nitro-
- D70119
- AE-641/02490009
- DTXSID40347183
- MFCD00130110
- SY037889
- 3-Nitro-5-bromosalicylaldehyde
- US8614253, .3-65
- 16634-88-1
- EN300-90407
- 5-Bromo-3-nitrosalicylaldehyde
- CS-W014636
- 5-Bromo-2-hydroxy-3-nitrobenzaldehyde
- DS-15029
- CHEMBL3660366
- BB 0244042
- BDBM111034
- Benzaldehyde,5-bromo-2-hydroxy-3-nitro-
- 5-Bromo-3-nitrosalicylaldehyde, 97%
-
- Inchi： 1S/C7H4BrNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-3,11H
- InChI Key： YEYPSUQQZNDKDE-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=O)C(=C(C=1)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 317.06428
- Monoisotopic Mass: 244.93237g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 83.1?2
Experimental Properties
- PSA: 20.31
Ethanone,2-chloro-1-(3,4-dihydro-4-phenyl-1,5-benzothiazepin-5(2H)-yl)- Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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