Basic information
- CAS
1241674-09-8- Standard SMILES
COc1cc(C)c(I)cc1C(=O)O- InChIKey
ZMSRDJONMBQQAD-UHFFFAOYSA-N- Molecular formula
- C9H9IO3
- Average molar mass
- 292.07 g/mol
- Monoisotopic mass
- 291.95964
Names & identifiers
- Preferred name
- 5-Iodo-2-methoxy-4-methylbenzoic acid
- IUPAC
- 5-iodo-2-methoxy-4-methylbenzoic acid
- English name
- Benzoic acid, 5-iodo-2-methoxy-4-methyl-
- Molecular formula
- C9H9IO3
- Molecular weight
- 292.07
Names & synonyms
5-iodo-2-methoxy-4-methylbenzoic acid1241674-09-8Benzoic acid, 5-iodo-2-methoxy-4-methyl-MFCD168756445-Iodo-2-methoxy-4-methylbenzoicacidSCHEMBL12108943DTXSID20676307ZMSRDJONMBQQAD-UHFFFAOYSA-NAKOS015999060s118385-iodo-2-methoxy-4-methyl-benzoic acidDA-37282
Show more names
5-iodo-2-Methoxy-4-Methylbenzoate
DS-18532AR-527/43415035
Database identifiers
- CAS
1241674-09-8- PubChem CID
- 46829360
- DTXSID
DTXSID20676307
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers11 total
大连科迈医药科技有限公司19526567696 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
中科全同（大连）医药科技有限公司86-13062552990 13062552990 · [email protected]
上海宏驹医药科技有限公司18001895509 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [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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