Cas no 164932-42-7 (1,4-Benzenedicarbonitrile, 2-formyl- (9CI))
164932-42-7 structure
Product Name:1,4-Benzenedicarbonitrile, 2-formyl- (9CI)
CAS No:164932-42-7
MF:C9H4N2O
MW:156.14086151123
CID:110489
PubChem ID:581869
Update Time:2025-04-18
1,4-Benzenedicarbonitrile, 2-formyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarbonitrile, 2-formyl- (9CI)
- 1,4-Benzenedicarbonitrile,2-formyl-
- 2-Formylterephthalonitrile
- 2-Formylterephthalonitrile #
- SCHEMBL7195384
- InChI=1/C9H4N2O/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3,6
- 2-formylbenzene-1,4-dicarbonitrile
- 1,4-Benzenedicarbonitrile, 2-formyl-
- IJRZHESCEKKNGQ-UHFFFAOYSA-N
- 164932-42-7
-
- Inchi： 1S/C9H4N2O/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3,6H
- InChI Key： IJRZHESCEKKNGQ-UHFFFAOYSA-N
- SMILES： O=CC1C=C(C#N)C=CC=1C#N
Computed Properties
- Exact Mass: 156.03242
- Monoisotopic Mass: 156.032362755g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 267
- 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: 0.8
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- PSA: 64.65
1,4-Benzenedicarbonitrile, 2-formyl- (9CI) Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
164932-42-7 (1,4-Benzenedicarbonitrile, 2-formyl- (9CI)) Related Products
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