Cas no 773109-10-7 (Benzoic acid,2,5-difluoro-4-hydrazinyl-)
773109-10-7 structure
Product Name:Benzoic acid,2,5-difluoro-4-hydrazinyl-
CAS No:773109-10-7
MF:C7H6F2N2O2
MW:188.131548404694
CID:551966
Update Time:2024-01-30
Benzoic acid,2,5-difluoro-4-hydrazinyl- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,2,5-difluoro-4-hydrazinyl-
- Benzoicacid, 2,5-difluoro-4-hydrazino- (9CI)
- Benzoic acid, 2,5-difluoro-4-hydrazino- (9CI)
- Benzoic acid, 2,5-difluoro-4-hydrazinyl-
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- Inchi： 1S/C7H6F2N2O2/c8-4-2-6(11-10)5(9)1-3(4)7(12)13/h1-2,11H,10H2,(H,12,13)
- InChI Key： BDMSXHOTPIYMMQ-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC(F)=C(NN)C=C1F
Computed Properties
- Exact Mass: 188.04
- Monoisotopic Mass: 188.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 203
- 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
- Topological Polar Surface Area: 75.4A^2
Experimental Properties
- Density: 1.607±0.06 g/cm3(Predicted)
- Boiling Point: 304.6±42.0 °C(Predicted)
- pka: 2.87±0.10(Predicted)
Benzoic acid,2,5-difluoro-4-hydrazinyl- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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