CAS
948306-78-3 Purity
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948306-78-3 Purity
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Benzene,1-bromo-4-(methylsulfonyl)-2-nitro-
CAS
94832-06-1
Catalog Number
ACM94832061
Category
Other Products
Molecular Weight
280.0958
Molecular Formula
C7H6BrNO4S
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Specification
Synonyms
Ambcb5119656, MolPort-001-769-266, ZINC02515993, CID2060366, 94832-06-1
IUPAC Name
1-bromo-4-methylsulfonyl-2-nitrobenzene
Canonical SMILES
CS(=O)(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]
InChI Key
ZRANEAXTVRBKGK-UHFFFAOYSA-N
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 2060366?
The molecular formula is C7H6BrNO4S.
What is the molecular weight of the compound?
The molecular weight is 280.10 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-bromo-4-methylsulfonyl-2-nitrobenzene.
What is the InChIKey of the compound?
The InChIKey is ZRANEAXTVRBKGK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 88.3 Ų.
How many heavy atoms are present in the compound?
There are 14 heavy atoms present in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the CAS number of the compound?
The CAS number is 94832-06-1.
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