CAS
96-68-4 Purity
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96-68-4 Purity
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![(3S,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol](https://resource.alfa-chemistry.com/structure/96687-24-0.gif)
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2-Chloro-N-(2,6-dibromo-4-methylphenyl)acetamide
CAS
96686-53-2
Catalog Number
ACM96686532
Category
Other Products
Molecular Weight
341.426920 [g/mol]
Molecular Formula
C9H8Br2ClNO
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Specification
Synonyms
MLS000394954, MolPort-000-871-781, STK399887, ZINC02577703, CID2063963, SMR000262131, 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide, 96686-53-2
IUPAC Name
2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide
Canonical SMILES
CC1=CC(=C(C(=C1)Br)NC(=O)CCl)Br
InChI Key
MVANPTOKDQBBEW-UHFFFAOYSA-N
Boiling Point
415ºC at 760mmHg
Flash Point
204.8ºC
Density
1.87g/cm³
Exact Mass
338.86600
H-Bond Acceptor
1
H-Bond Donor
1
What is the IUPAC name of the compound with CID 2063963?
The IUPAC name of the compound with CID 2063963 is 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the molecular formula of the compound with CID 2063963?
The molecular formula of the compound with CID 2063963 is C9H8Br2ClNO.
What is the molecular weight of the compound with CID 2063963?
The molecular weight of the compound with CID 2063963 is 341.42 g/mol.
What is the InChIKey of the compound with CID 2063963?
The InChIKey of the compound with CID 2063963 is MVANPTOKDQBBEW-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound with CID 2063963?
The Canonical SMILES representation of the compound with CID 2063963 is CC1=CC(=C(C(=C1)Br)NC(=O)CCl)Br.
What is the CAS number of the compound with CID 2063963?
The CAS number of the compound with CID 2063963 is 96686-53-2.
What is the XLogP3-AA value of the compound with CID 2063963?
The XLogP3-AA value of the compound with CID 2063963 is 3.5.
How many hydrogen bond donor counts does the compound with CID 2063963 have?
The compound with CID 2063963 has 1 hydrogen bond donor count.
How many rotatable bond counts does the compound with CID 2063963 have?
The compound with CID 2063963 has 2 rotatable bond counts.
Is the compound with CID 2063963 canonicalized?
Yes, the compound with CID 2063963 is canonicalized.
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CAS
96685-53-9 Purity
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96685-53-9 Purity
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