Cas no 81038-36-0 (4-chloro-1H-Indole-1-carboxylic acid methyl ester)
81038-36-0 structure
Product Name:4-chloro-1H-Indole-1-carboxylic acid methyl ester
CAS No:81038-36-0
MF:C10H8ClNO2
MW:209.629021644592
CID:1118136
Update Time:2024-03-06
4-chloro-1H-Indole-1-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-1H-Indole-1-carboxylic acid methyl ester
- 1H-Indole-1-carboxylic acid, 4-chloro-, methyl ester
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- Inchi： 1S/C10H8ClNO2/c1-14-10(13)12-6-5-7-8(11)3-2-4-9(7)12/h2-6H,1H3
- InChI Key： RBQCXXSEZUQRPY-UHFFFAOYSA-N
- SMILES： N1(C(OC)=O)C2=C(C(Cl)=CC=C2)C=C1
Computed Properties
- Exact Mass: 209.02400
Experimental Properties
- Density: 1.31±0.1 g/cm3(Predicted)
- Melting Point: 43.5-44 °C(Solv: hexane (110-54-3))
- Boiling Point: 326.6±34.0 °C(Predicted)
- PSA: 31.23000
- LogP: 2.90920
4-chloro-1H-Indole-1-carboxylic acid methyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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