CAS
95535-40-3 Purity
97+%
95535-40-3 Purity
97+%
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(6-Bromopyridin-2-yl)acetic acid ethyl ester
CAS
955369-63-8
Catalog Number
ACM955369638
Category
Other Products
Molecular Weight
244.085200 [g/mol]
Molecular Formula
C9H10BrNO2
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Specification
Synonyms
ETHYL 2-(6-BROMOPYRIDIN-2-YL)ACETATE, 955369-63-8, AKOS016008832, AB56168, AK110628, KB-252228, (6-BROMOPYRIDIN-2-YL)ACETIC ACID ETHYL ESTER
IUPAC Name
ethyl 2-(6-bromopyridin-2-yl)acetate
Canonical SMILES
CCOC(=O)CC1=NC(=CC=C1)Br
InChI Key
LTRSPLNQOMJCSH-UHFFFAOYSA-N
Exact Mass
242.98900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of (6-Bromopyridin-2-yl)acetic acid ethyl ester?
The molecular formula is C9H10BrNO2.
What is the IUPAC name of (6-Bromopyridin-2-yl)acetic acid ethyl ester?
The IUPAC name is ethyl 2-(6-bromopyridin-2-yl)acetate.
What is the InChI key of (6-Bromopyridin-2-yl)acetic acid ethyl ester?
The InChI key is LTRSPLNQOMJCSH-UHFFFAOYSA-N.
What is the canonical SMILES of (6-Bromopyridin-2-yl)acetic acid ethyl ester?
The canonical SMILES is CCOC(=O)CC1=NC(=CC=C1)Br.
What is the CAS number of (6-Bromopyridin-2-yl)acetic acid ethyl ester?
The CAS number is 955369-63-8.
What is the molecular weight of (6-Bromopyridin-2-yl)acetic acid ethyl ester?
The molecular weight is 244.08 g/mol.
What is the XLogP3-AA value of (6-Bromopyridin-2-yl)acetic acid ethyl ester?
The XLogP3-AA value is 2.1.
How many hydrogen bond donor counts does (6-Bromopyridin-2-yl)acetic acid ethyl ester have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does (6-Bromopyridin-2-yl)acetic acid ethyl ester have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does (6-Bromopyridin-2-yl)acetic acid ethyl ester have?
It has 4 rotatable bond counts.
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