CAS
950651-26-0 Purity
96%
950651-26-0 Purity
96%
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Methyl 2-acetamido-3-nitrobenzoate
CAS
95067-27-9
Catalog Number
ACM95067279
Category
Other Products
Molecular Weight
238.2
Molecular Formula
C10H10N2O5
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Specification
Synonyms
METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE;METHYL 2-ACETAMIDO-3-NITROBENZOATE;Methyl 2-(acetylamino)-3-nitrobenzoate, 90+%;METHYL 2-ACETAMIDO-3-NITROBENZOATE, TECH.
IUPAC Name
methyl 2-acetamido-3-nitrobenzoate
Canonical SMILES
CC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC
InChI Key
PHFRWNCHBPVTJN-UHFFFAOYSA-N
Boiling Point
451.3ºC at 760mmHg
Melting Point
121-122ºC
Flash Point
226.7ºC
Density
1.382g/cm³
Exact Mass
238.05900
H-Bond Acceptor
5
H-Bond Donor
1
Safety Description
22-24/25
What is the molecular formula of Methyl 2-acetamido-3-nitrobenzoate?
The molecular formula of Methyl 2-acetamido-3-nitrobenzoate is C10H10N2O5.
When was Methyl 2-acetamido-3-nitrobenzoate created and last modified?
Methyl 2-acetamido-3-nitrobenzoate was created on 2005-07-19 and last modified on 2023-12-30.
What is the IUPAC name of Methyl 2-acetamido-3-nitrobenzoate?
The IUPAC name of Methyl 2-acetamido-3-nitrobenzoate is methyl 2-acetamido-3-nitrobenzoate.
What is the InChIKey of Methyl 2-acetamido-3-nitrobenzoate?
The InChIKey of Methyl 2-acetamido-3-nitrobenzoate is PHFRWNCHBPVTJN-UHFFFAOYSA-N.
What is the CAS number of Methyl 2-acetamido-3-nitrobenzoate?
The CAS number of Methyl 2-acetamido-3-nitrobenzoate is 95067-27-9.
What is the molecular weight of Methyl 2-acetamido-3-nitrobenzoate?
The molecular weight of Methyl 2-acetamido-3-nitrobenzoate is 238.20 g/mol.
How many hydrogen bond donor counts does Methyl 2-acetamido-3-nitrobenzoate have?
Methyl 2-acetamido-3-nitrobenzoate has 1 hydrogen bond donor count.
What is the XLogP3 value of Methyl 2-acetamido-3-nitrobenzoate?
The XLogP3 value of Methyl 2-acetamido-3-nitrobenzoate is 1.5.
Does Methyl 2-acetamido-3-nitrobenzoate have any undefined bond stereocenters?
No, Methyl 2-acetamido-3-nitrobenzoate has 0 undefined bond stereocenters.
Is the compound canonicalized for Methyl 2-acetamido-3-nitrobenzoate?
Yes, the compound is canonicalized for Methyl 2-acetamido-3-nitrobenzoate.
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