Basic information
- Standard SMILES
N#Cc1cc(F)c(N)c(I)c1- InChIKey
IVUPHTIFWULRNT-UHFFFAOYSA-N- Molecular formula
- C7H4FIN2
- Average molar mass
- 262.02 g/mol
- Monoisotopic mass
- 261.94032435
Names & identifiers
- Preferred name
- 4-Amino-3-fluoro-5-iodobenzonitrile
- IUPAC
- 4-amino-3-fluoro-5-iodobenzonitrile
- English name
- 4-Amino-3-fluoro-5-iodo-benzonitrile
- Molecular formula
- C7H4FIN2
- Molecular weight
- 262.02
Names & synonyms
4-Amino-3-fluoro-5-iodobenzonitrile849353-46-44-amino-3-fluoro-5-iodo-benzonitrileMFCD12755870SCHEMBL1997670DTXSID20657873IVUPHTIFWULRNT-UHFFFAOYSA-NAB65754HS-9039DB-117815Benzonitrile, 4-amino-3-fluoro-5-iodo-
Database identifiers
- CAS
849353-46-4- PubChem CID
- 44203120
- DTXSID
DTXSID20657873
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 302.5 · 302.5±42.0 °C(Predicted)
- Density
- 2.04 · 2.04±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.73 · -1.73±0.10(Predicted)
Chemistry & industry
Suppliers5 total
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
4 records
Linked notes
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