CAS
99857-17-7 Purity
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99857-17-7 Purity
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4-tert-Butyl-3-nitrobenzoyl chloride
CAS
99859-97-7
Catalog Number
ACM99859977
Category
Other Products
Molecular Weight
468.45926;g/mol
Molecular Formula
C23H24N4O7
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Specification
IUPAC Name
methyl(2S)-2-[[2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetyl]amino]-3-(4-nitrophenyl)propanoate
Canonical SMILES
COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC2C(=O)NC(C(=O)N2)CC3=CC=CC=C3
InChI Key
RTHTVYBYIBOWDZ-FHWLQOOXSA-N
What is the molecular formula of 4-tert-Butyl-3-nitrobenzoyl chloride?
The molecular formula is C11H12ClNO3.
When was 4-tert-Butyl-3-nitrobenzoyl chloride first created?
It was first created on February 8, 2007.
What is the molecular weight of 4-tert-Butyl-3-nitrobenzoyl chloride?
The molecular weight is 241.67 g/mol.
What is the InChIKey of 4-tert-Butyl-3-nitrobenzoyl chloride?
The InChIKey is HWVMZDWJPHPUEG-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 4-tert-Butyl-3-nitrobenzoyl chloride have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value of 4-tert-Butyl-3-nitrobenzoyl chloride?
The XLogP3-AA value is 3.9.
What is the topological polar surface area of 4-tert-Butyl-3-nitrobenzoyl chloride?
The topological polar surface area is 62.9 Ų.
How many rotatable bond counts does 4-tert-Butyl-3-nitrobenzoyl chloride have?
It has 2 rotatable bond counts.
Is 4-tert-Butyl-3-nitrobenzoyl chloride considered to be canonicalized?
Yes, it is considered to be canonicalized.
How many covalently-bonded unit counts does 4-tert-Butyl-3-nitrobenzoyl chloride have?
It has 1 covalently-bonded unit count.
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