Basic information
- CAS
157496-75-8- Standard SMILES
COc1ccc(NC(=O)OC(C)(C)C)c(I)c1- InChIKey
QVVBFDVJTIYVAU-UHFFFAOYSA-N- Molecular formula
- C12H16INO3
- Average molar mass
- 349.16 g/mol
- Monoisotopic mass
- 349.01749
Names & identifiers
- Preferred name
- Tert-butyl 2-iodo-4-methoxyphenylcarbamate
- IUPAC
- tert-butyl N-(2-iodo-4-methoxyphenyl)carbamate
- English name
- tert-Butyl 2-iodo-4-methoxyphenylcarbamate
- Molecular formula
- C12H16INO3
- Molecular weight
- 349.16
Names & synonyms
157496-75-8tert-butyl 2-iodo-4-methoxyphenylcarbamateDTXSID60356055RefChem:383230DTXCID70307114tert-butyl (2-iodo-4-methoxyphenyl)carbamatetert-butyl N-(2-iodo-4-methoxyphenyl)carbamateMFCD04971380QVVBFDVJTIYVAU-UHFFFAOYSA-NAB6709Carbamic acid, N-(2-iodo-4-methoxyphenyl)-, 1,1-dimethylethyl esterHS-7954
Show more names
1,1-Dimethylethyl N-(2-iodo-4-methoxyphenyl)carbamate(2-Iodo-4-methoxy-phenyl)-carbamic acid tert-butyl ester
SB83549tert-butyl(2-iodo-4-methoxyphenyl)carbamateCS-0328638EN300-5007716tert-butyl N-(2-iodo-4-methoxy-phenyl)carbamateAI-942/42302123F390038
Database identifiers
- CAS
157496-75-8- PubChem CID
- 819182
- DTXSID
DTXSID60356055- Nikkaji
- J669.309A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 341.8 · 341.8±32.0 °C(Predicted)
- Density
- 1.555 · 1.555±0.06 g/cm3(Predicted)
- pka
- 12.48 · 12.48±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
苏州施亚生物科技有限公司17715136450 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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