Cas no 646037-37-8 (1H-Pyrazole, 1-(3,5-difluorophenyl)-)
646037-37-8 structure
Product Name:1H-Pyrazole, 1-(3,5-difluorophenyl)-
CAS No:646037-37-8
MF:C9H6F2N2
MW:180.154148578644
CID:422314
PubChem ID:58274054
Update Time:2025-04-19
1H-Pyrazole, 1-(3,5-difluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-(3,5-difluorophenyl)-
- 1-(3,5-difluorophenyl)pyrazole
- SCHEMBL14593840
- DTXSID00729047
- 1-(3,5-Difluorophenyl)-1H-pyrazole
- 646037-37-8
-
- Inchi： 1S/C9H6F2N2/c10-7-4-8(11)6-9(5-7)13-3-1-2-12-13/h1-6H
- InChI Key： XQGJIXGERHSUMU-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)N1C=CC=N1)F
Computed Properties
- Exact Mass: 180.04998
- Monoisotopic Mass: 180.04990452g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 2.4
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Pyrazole, 1-(3,5-difluorophenyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
646037-37-8 (1H-Pyrazole, 1-(3,5-difluorophenyl)-) Related Products
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