Cas no 82787-70-0 (methyl 5-(bromomethyl)benzothiophene-2-carboxylate)
82787-70-0 structure
Product Name:methyl 5-(bromomethyl)benzothiophene-2-carboxylate
CAS No:82787-70-0
MF:C11H9BrO2S
MW:285.156961202621
CID:1806774
PubChem ID:13662981
Update Time:2025-04-21
methyl 5-(bromomethyl)benzothiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 5-(bromomethyl)benzothiophene-2-carboxylate
- methyl 5-(bromomethyl)-1-benzothiophene-2-carboxylate
- Methyl-5-(brommethyl)-1-benzothiophen-2-carboxylat
- LogP
- 5-(Bromomethyl)benzo[b]thiophene-2-carboxylic acid methyl ester
- 5-bromomethylbenzo[b]thiophene-2-carboxylic acid methyl ester
- 82787-70-0
- DB-172320
- Methyl 5-(bromomethyl)benzo[b]thiophene-2-carboxylate
- NZRGXIXLQXTHLY-UHFFFAOYSA-N
- SCHEMBL10951469
-
- Inchi： 1S/C11H9BrO2S/c1-14-11(13)10-5-8-4-7(6-12)2-3-9(8)15-10/h2-5H,6H2,1H3
- InChI Key： NZRGXIXLQXTHLY-UHFFFAOYSA-N
- SMILES： BrCC1C=CC2=C(C=C(C(=O)OC)S2)C=1
Computed Properties
- Exact Mass: 283.95066g/mol
- Monoisotopic Mass: 283.95066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 247
- 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: 3.7
- Topological Polar Surface Area: 54.5?2
methyl 5-(bromomethyl)benzothiophene-2-carboxylate Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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