Basic information
- CAS
2660255-85-4- Standard SMILES
CC(C)c1ccc(Br)c2cnc(Cl)cc12- InChIKey
GUZXCNBBJSVUBW-UHFFFAOYSA-N- Molecular formula
- C12H11BrClN
- Average molar mass
- 284.58 g/mol
Names & identifiers
- Preferred name
- 8-Bromo-3-chloro-5-isopropylisoquinoline
- IUPAC
- 8-bromo-3-chloro-5-propan-2-ylisoquinoline
- English name
- Isoquinoline, 8-bromo-3-chloro-5-(1-methylethyl)-
- Molecular formula
- C12H11BrClN
- Molecular weight
- 284.58
Names & synonyms
8-Bromo-3-chloro-5-isopropylisoquinoline2660255-85-4SCHEMBL23593485SCHEMBL29959057MFCD32696040AT362368-bromo-3-chloro-5-(1-methylethyl)-SY3840658-bromo-3-chloro-5-isopropyl-isoquinolineDB-4291898-bromo-3-chloro-5-propan-2-ylisoquinolineCS-0433764
Show more names
F762922Isoquinoline, 8-bromo-3-chloro-5-(1-methylethyl)-
Database identifiers
- CAS
2660255-85-4
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 382.9 · 382.9±37.0 °C(Predicted)
- Density
- 1.459 · 1.459±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 1.23 · 1.23±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C12H11BrClN/c1-7(2)8-3-4-11(13)10-6-15-12(14)5-9(8)10/h3-7H,1-2H3
- InChIKey
- GUZXCNBBJSVUBW-UHFFFAOYSA-N
- SMILES
- C1C2=C(C(C(C)C)=CC=C2Br)C=C(Cl)N=1
Chemistry & industry
Suppliers40 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
安庆多辉生物科技有限公司19121697802 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州莱安医药化学技术有限公司0512-68780025 18962125825 · [email protected]
Nanjing Shizhou Biotechnology Co., Ltd+86-15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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