CAS
99584-10-8 Purity
96%
99584-10-8 Purity
96%
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3-methyl-4-nitro-benzamide
CAS
99584-85-7
Catalog Number
ACM99584857
Category
Other Products
Molecular Weight
180.16
Molecular Formula
C8H8N2O3
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Specification
Synonyms
3-Methyl-4-nitrobenzamide, Oprea1_746879, Benzamide, 3-methyl-4-nitro-, ZINC00153318, CID595900, ST5407461, 99584-85-7
IUPAC Name
3-methyl-4-nitrobenzamide
Canonical SMILES
CC1=C(C=CC(=C1)C(=O)N)[N+](=O)[O-]
InChI Key
BCAAGQMIPKPDDX-UHFFFAOYSA-N
Boiling Point
320.5ºC at 760mmHg
Melting Point
158-160ºC
Flash Point
147.6ºC
Density
1.322g/cm³
Exact Mass
180.05300
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
S22-S36/37
What is the molecular formula of 3-methyl-4-nitro-benzamide?
The molecular formula of 3-methyl-4-nitro-benzamide is C8H8N2O3.
What is the molecular weight of 3-methyl-4-nitro-benzamide?
The molecular weight of 3-methyl-4-nitro-benzamide is 180.16 g/mol.
When was 3-methyl-4-nitro-benzamide created in PubChem?
3-methyl-4-nitro-benzamide was created on March 27, 2005.
What are some synonyms for 3-methyl-4-nitro-benzamide?
Some synonyms for 3-methyl-4-nitro-benzamide are 99584-85-7, Oprea1_746879, and 3-Methyl-4-nitrobenzamide.
What is the InChIKey for 3-methyl-4-nitro-benzamide?
The InChIKey for 3-methyl-4-nitro-benzamide is BCAAGQMIPKPDDX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3-methyl-4-nitro-benzamide have?
3-methyl-4-nitro-benzamide has 1 hydrogen bond donor count.
What is the topological polar surface area of 3-methyl-4-nitro-benzamide?
The topological polar surface area of 3-methyl-4-nitro-benzamide is 88.9 Ų.
How many heavy atoms are present in 3-methyl-4-nitro-benzamide?
There are 13 heavy atoms present in 3-methyl-4-nitro-benzamide.
Is 3-methyl-4-nitro-benzamide a canonicalized compound?
Yes, 3-methyl-4-nitro-benzamide is a canonicalized compound.
What is the XLogP3 value of 3-methyl-4-nitro-benzamide?
The XLogP3 value of 3-methyl-4-nitro-benzamide is 1.7.
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