Cas no 62574-45-2 (2-Naphthalenecarbonitrile, 3-amino-4-bromo-)
62574-45-2 structure
Product Name:2-Naphthalenecarbonitrile, 3-amino-4-bromo-
CAS No:62574-45-2
MF:C11H7BrN2
MW:247.090681314468
CID:439706
PubChem ID:12349109
Update Time:2025-04-19
2-Naphthalenecarbonitrile, 3-amino-4-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarbonitrile, 3-amino-4-bromo-
- 3-amino-4-bromonaphthalene-2-carbonitrile
- 62574-45-2
- DTXSID80493138
- AKOS020996969
-
- Inchi： 1S/C11H7BrN2/c12-10-9-4-2-1-3-7(9)5-8(6-13)11(10)14/h1-5H,14H2
- InChI Key： UVYOMVNFDXDIHZ-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C#N)C=C2C=CC=CC2=1)N
Computed Properties
- Exact Mass: 245.97931
- Monoisotopic Mass: 245.97926g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 257
- 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: 3.5
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.81
2-Naphthalenecarbonitrile, 3-amino-4-bromo- Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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