Basic information
- CAS
1172067-98-9- Standard SMILES
O=S(=O)(c1ccccc1)n1ccc2c(F)c(Br)cnc21- InChIKey
KJXUMHKQPPSEJB-UHFFFAOYSA-N- Molecular formula
- C13H8BrFN2O2S
- Average molar mass
- 355.18 g/mol
- Monoisotopic mass
- 353.94739
Names & identifiers
- Preferred name
- 5-Bromo-4-fluoro-1-(phenylsulfonyl)-7-azaindole
- IUPAC
- 1-(benzenesulfonyl)-5-bromo-4-fluoropyrrolo[2,3-b]pyridine
- English name
- 1H-Pyrrolo[2,3-b]pyridine, 5-broMo-4-fluoro-1-(phenylsulfonyl)-
- Molecular formula
- C13H8BrFN2O2S
- Molecular weight
- 355.18
Names & synonyms
1172067-98-95-BROMO-4-FLUORO-1-(PHENYLSULFONYL)-7-AZAINDOLE5-BROMO-4-FLUORO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE1-(benzenesulfonyl)-5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridineMFCD155294321-(benzenesulfonyl)-5-bromo-4-fluoropyrrolo[2,3-b]pyridine1H-PYRROLO[2,3-B]PYRIDINE, 5-BROMO-4-FLUORO-1-(PHENYLSULFONYL)-C13H8BrFN2O2SSCHEMBL3727912KJXUMHKQPPSEJB-UHFFFAOYSA-NAKOS025290838PB25534
Show more names
AS-51063SY321049CS-0004957P11818F5023551-(benzenesulfonyl)-5-bromo-4-fluoro-pyrrolo[2,3-b]pyridine
Database identifiers
- CAS
1172067-98-9- PubChem CID
- 68763578
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319-H331-H401
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P337+P313-P261-P271-P304+P340-P311-P403+P233-P273
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319-H331-H401
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P337+P313-P261-P271-P304+P340-P311-P403+P233-P273
Chemistry & industry
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Aladdin Scientific[email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
四川众诚医药化工有限公司028-83126208 19981688298 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
1 records
Compound notes
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