Cas no 691887-86-2 (1H-Indole-3-carboxaldehyde, 7-bromo-2-methyl-)
691887-86-2 structure
Product Name:1H-Indole-3-carboxaldehyde, 7-bromo-2-methyl-
CAS No:691887-86-2
MF:C10H8BrNO
MW:238.08062171936
CID:1736535
PubChem ID:57438107
Update Time:2025-04-21
1H-Indole-3-carboxaldehyde, 7-bromo-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxaldehyde, 7-bromo-2-methyl-
- AKOS014670315
- DB-207928
- 7-Bromo-2-methyl-1h-indole-3-carboxaldehyde
- 7-bromo-2-methyl-3-formylindol
- 7-bromo-2-methyl-1H-indole-3-carbaldehyde
- AT15918
- 691887-86-2
- VOVNJHWNSVPDCL-UHFFFAOYSA-N
- SCHEMBL3242577
-
- Inchi： 1S/C10H8BrNO/c1-6-8(5-13)7-3-2-4-9(11)10(7)12-6/h2-5,12H,1H3
- InChI Key： VOVNJHWNSVPDCL-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC2C(C=O)=C(C)NC=21
Computed Properties
- Exact Mass: 236.97894
- Monoisotopic Mass: 236.97893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 32.86
1H-Indole-3-carboxaldehyde, 7-bromo-2-methyl- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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