CAS
993-53-3 Purity
96%
993-53-3 Purity
96%
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CHEMBRDG-BB 6806887
CAS
99358-36-8
Catalog Number
ACM99358368
Category
Other Products
Molecular Weight
291.3
Molecular Formula
C9H9NO6S2
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Specification
Synonyms
OTAVA-BB BB7113250018;CHEMBRDG-BB 6806887;([4-(METHYLSULFONYL)-2-NITROPHENYL]THIO)ACETIC ACID;AKOS BBS-00008899;OTAVA-BB 7113250018
What is the molecular formula of CHEMBRDG-BB 6806887?
The molecular formula of CHEMBRDG-BB 6806887 is C9H9NO6S2.
What is the molecular weight of CHEMBRDG-BB 6806887?
The molecular weight of CHEMBRDG-BB 6806887 is 291.3 g/mol.
When was CHEMBRDG-BB 6806887 created and last modified?
CHEMBRDG-BB 6806887 was created on 2005-07-11 and last modified on 2023-12-30.
What is the IUPAC name of CHEMBRDG-BB 6806887?
The IUPAC name of CHEMBRDG-BB 6806887 is 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetic acid.
What is the InChI of CHEMBRDG-BB 6806887?
The InChI of CHEMBRDG-BB 6806887 is InChI=1S/C9H9NO6S2/c1-18(15,16)6-2-3-8(17-5-9(11)12)7(4-6)10(13)14/h2-4H,5H2,1H3,(H,11,12).
What is the InChIKey of CHEMBRDG-BB 6806887?
The InChIKey of CHEMBRDG-BB 6806887 is MILCDFHAJJDOKY-UHFFFAOYSA-N.
What is the Canonical SMILES representation of CHEMBRDG-BB 6806887?
The Canonical SMILES representation of CHEMBRDG-BB 6806887 is CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)O)[N+](=O)[O-].
What is the XLogP3 value of CHEMBRDG-BB 6806887?
The XLogP3 value of CHEMBRDG-BB 6806887 is 1.3.
How many hydrogen bond acceptors does CHEMBRDG-BB 6806887 have?
CHEMBRDG-BB 6806887 has 7 hydrogen bond acceptors.
Is CHEMBRDG-BB 6806887 a canonicalized compound according to PubChem?
Yes, CHEMBRDG-BB 6806887 is a canonicalized compound according to PubChem.
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