CAS
97261-80-8 Purity
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97261-80-8 Purity
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CHEMBRDG-BB 6539802
CAS
97268-15-0
Catalog Number
ACM97268150
Category
Other Products
Molecular Weight
287.55
Molecular Formula
C8H5Cl3O3S
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Specification
Synonyms
CHEMBRDG-BB 6539802;4-OXO-4-(3,4,5-TRICHLORO-2-THIENYL)BUTANOIC ACID
What is the molecular formula of CHEMBRDG-BB 6539802?
The molecular formula of CHEMBRDG-BB 6539802 is C8H5Cl3O3S.
What is the molecular weight of CHEMBRDG-BB 6539802?
The molecular weight of CHEMBRDG-BB 6539802 is 287.5 g/mol.
What is the IUPAC name of CHEMBRDG-BB 6539802?
The IUPAC name of CHEMBRDG-BB 6539802 is 4-oxo-4-(3,4,5-trichlorothiophen-2-yl)butanoic acid.
What is the InChI of CHEMBRDG-BB 6539802?
The InChI of CHEMBRDG-BB 6539802 is InChI=1S/C8H5Cl3O3S/c9-5-6(10)8(11)15-7(5)3(12)1-2-4(13)14/h1-2H2,(H,13,14).
What is the InChIKey of CHEMBRDG-BB 6539802?
The InChIKey of CHEMBRDG-BB 6539802 is SBOFTACMDNZBLE-UHFFFAOYSA-N.
What is the canonical SMILES of CHEMBRDG-BB 6539802?
The canonical SMILES of CHEMBRDG-BB 6539802 is C(CC(=O)O)C(=O)C1=C(C(=C(S1)Cl)Cl)Cl.
What is the XLogP3-AA value of CHEMBRDG-BB 6539802?
The XLogP3-AA value of CHEMBRDG-BB 6539802 is 3.3.
How many hydrogen bond donor counts does CHEMBRDG-BB 6539802 have?
CHEMBRDG-BB 6539802 has one hydrogen bond donor count.
How many hydrogen bond acceptor counts does CHEMBRDG-BB 6539802 have?
CHEMBRDG-BB 6539802 has four hydrogen bond acceptor counts.
How many rotatable bond counts does CHEMBRDG-BB 6539802 have?
CHEMBRDG-BB 6539802 has four rotatable bond counts.
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