CAS
942144-43-6 Purity
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942144-43-6 Purity
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Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester
CAS
942148-30-3
Catalog Number
ACM942148303
Category
Other Products
Molecular Formula
C18H21FN2O2
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Specification
Synonyms
Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
What is the molecular formula of Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester?
The molecular formula is C18H21FN2O2.
What is the IUPAC name of Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester?
The IUPAC name is propan-2-yl 8-fluoro-1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate.
What is the InChI of Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester?
The InChI is InChI=1S/C18H21FN2O2/c1-10(2)23-17(22)13-8-20-9-18(3,4)15-12-6-5-11(19)7-14(12)21-16(13)15/h5-8,10,20-21H,9H2,1-4H3.
What is the InChIKey of Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester?
The InChIKey is LCBILDCOUYKCBK-UHFFFAOYSA-N.
What is the Canonical SMILES of Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester?
The Canonical SMILES is CC(C)OC(=O)C1=CNCC(C2=C1NC3=C2C=CC(=C3)F)(C)C.
What is the molecular weight of Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester?
The molecular weight is 316.4 g/mol.
How many hydrogen bond donor counts does Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester have?
It has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester?
The XLogP3-AA value is 3.9.
How many rotatable bond counts does Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester have?
It has 3 rotatable bond counts.
Is Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester's compound canonicalized?
Yes, the compound is canonicalized.
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CAS
942145-77-9 Purity
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942145-77-9 Purity
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