CAS
905811-02-1 Purity
96%
905811-02-1 Purity
96%
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Chembrdg-bb 4024713
CAS
905811-05-4
Catalog Number
ACM905811054
Category
Other Products
Molecular Formula
C10H10ClNO3
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Specification
Synonyms
CHEMBRDG-BB 4024713;3-[(5-CHLORO-2-METHYLPHENYL)AMINO]-3-OXOPROPANOIC ACID
What is the molecular formula of Chembrdg-bb 4024713?
The molecular formula of Chembrdg-bb 4024713 is C10H10ClNO3.
When was Chembrdg-bb 4024713 created and modified?
Chembrdg-bb 4024713 was created on July 30, 2007, and modified on December 30, 2023.
What is the IUPAC name of Chembrdg-bb 4024713?
The IUPAC name of Chembrdg-bb 4024713 is 3-(5-chloro-2-methylanilino)-3-oxopropanoic acid.
What is the InChI of Chembrdg-bb 4024713?
The InChI of Chembrdg-bb 4024713 is InChI=1S/C10H10ClNO3/c1-6-2-3-7(11)4-8(6)12-9(13)5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15).
What is the InChIKey of Chembrdg-bb 4024713?
The InChIKey of Chembrdg-bb 4024713 is TUXXXTLXVKEGJC-UHFFFAOYSA-N.
What is the canonical SMILES of Chembrdg-bb 4024713?
The canonical SMILES of Chembrdg-bb 4024713 is CC1=C(C=C(C=C1)Cl)NC(=O)CC(=O)O.
What is the molecular weight of Chembrdg-bb 4024713?
The molecular weight of Chembrdg-bb 4024713 is 227.64 g/mol.
How many hydrogen bond donor counts does Chembrdg-bb 4024713 have?
Chembrdg-bb 4024713 has 2 hydrogen bond donor counts.
What is the topological polar surface area of Chembrdg-bb 4024713?
The topological polar surface area of Chembrdg-bb 4024713 is 66.4 Å^2.
Is the compound is canonicalized for Chembrdg-bb 4024713?
Yes, the compound is canonicalized for Chembrdg-bb 4024713.
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