CAS
914349-31-8 Purity
96%
914349-31-8 Purity
96%
Inquiry Basket
3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester
CAS
914349-39-6
Catalog Number
ACM914349396
Category
Other Products
Molecular Weight
310.19
Molecular Formula
C14H16BrNO2
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
3-BROMO-7-METHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;3-BROMO-7-METHYLINDOLE, N-BOC PROTECTED;3-BROMO-7-METHYLINDOLE-1-CARBOXYLIC ACID T-BUTYL ESTER;1-Boc-3-bromo-7-methylindole
IUPAC Name
tert-butyl 3-bromo-7-methylindole-1-carboxylate
Canonical SMILES
CC1=CC=CC2=C1N(C=C2Br)C(=O)OC(C)(C)C
InChI Key
BXENRKXKYFCGLO-UHFFFAOYSA-N
Boiling Point
384.6ºC at 760 mmHg
Flash Point
186.4ºC
Density
1.34g/cm³
Exact Mass
309.03600
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester?
The molecular formula is C14H16BrNO2.
When was 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester created?
It was created on May 30, 2009.
What is the IUPAC name of 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester?
The IUPAC name is tert-butyl 3-bromo-7-methylindole-1-carboxylate.
What is the InChIKey of 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester?
The InChIKey is BXENRKXKYFCGLO-UHFFFAOYSA-N.
What is the canonical SMILES representation of 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester?
The canonical SMILES representation is CC1=C2C(=CC=C1)C(=CN2C(=O)OC(C)(C)C)Br.
What is the molecular weight of 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester?
The molecular weight is 310.19 g/mol.
What is the XLogP3-AA value of 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester?
The XLogP3-AA value is 4.3.
How many hydrogen bond acceptors does 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester have?
It has 2 hydrogen bond acceptors.
What is the topological polar surface area of 3-Bromo-7-methylindole-1-carboxylic acid tert-butyl ester?
The topological polar surface area is 31.2 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Recommended Products
CAS
914349-32-9 Purity
96%
914349-32-9 Purity
96%
