Cas no 56741-98-1 (N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide)
56741-98-1 structure
Product Name:N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide
CAS No:56741-98-1
MF:C10H7BrN4O3
MW:311.091580629349
CID:945881
PubChem ID:135539628
Update Time:2025-04-19
N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide Chemical and Physical Properties
Names and Identifiers
-
- N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide
- 5-Brom-2-nitroamino-6-phenylpyrimidin-4(3H)-on
- 5-bromo-2-nitroamino-6-phenyl-3H-pyrimidin-4-one
- AC1L8HS3
- NSC194265
- 56741-98-1
- NSC-194265
- DTXSID70330109
-
- Inchi: 1S/C10H7BrN4O3/c11-7-8(6-4-2-1-3-5-6)12-10(13-9(7)16)14-15(17)18/h1-5H,(H2,12,13,14,16)
- InChI Key: XRUYFSBHCHITHR-UHFFFAOYSA-N
- SMILES: BrC1C(NC(N[N+](=O)[O-])=NC=1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 310.97804
- Monoisotopic Mass: 309.97
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 435
- 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: 1.8
- Topological Polar Surface Area: 99.3?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 93.8
- LogP: 2.81150
N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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