CAS
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2-tert-Butoxycarbonylamino-5-chloro-benzoic acid
Catalog Number
ACMA00001688
Category
Aryl Fluorinated Building Blocks
Molecular Weight
271.70
Molecular Formula
C9H11ClFN
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Specification
Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound 2-tert-Butoxycarbonylamino-5-chloro-benzoic acid?
The molecular formula is C12H14ClNO4.
When was the compound first created according to the reference?
The compound was first created on July 11, 2005.
What is the molecular weight of the compound?
The molecular weight is 271.69 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)C(=O)O.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in the compound?
There are 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 75.6 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is SWJIXFKVVPTMPQ-UHFFFAOYSA-N.
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