CAS
95193-83-2 Purity
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95193-83-2 Purity
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2-ACETAMINO-4-NITROBENZOIC ACID
CAS
951-97-3
Catalog Number
ACM951973
Category
Other Products
Molecular Weight
224.18
Molecular Formula
C9H8N2O5
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Specification
Synonyms
Oprea1_794740, 2-(Acetylamino)-4-nitrobenzoic acid, 2-Acetamido-4-nitrobenzoic acid, MolPort-001-790-640, NSC 49165, STK365757, CID70373, NSC25215, NSC49165, NSC86569, EINECS 213-458-3, NSC 25215, NSC 86569, Anthranilic acid, N-acetyl-4-nitro-, 2-ACETAMINO-4-NITROBENZOIC ACID, Benzoic acid, 2-(acetylamino)-4-nitro-, Anthranilic acid, N-acetyl-4-nitro- (8CI), 951-97-3
IUPAC Name
2-acetamido-4-nitrobenzoic acid
Canonical SMILES
CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
InChI Key
OAYHLMVCNPUEPI-UHFFFAOYSA-N
Boiling Point
488.7ºC at 760mmHg
Flash Point
249.4ºC
Density
1.526g/cm³
EC Number
213-458-3
Exact Mass
224.04300
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 2-Acetamino-4-Nitrobenzoic acid?
The molecular formula of 2-Acetamino-4-Nitrobenzoic acid is C9H8N2O5.
When was 2-Acetamino-4-Nitrobenzoic acid first created?
2-Acetamino-4-Nitrobenzoic acid was first created on March 26, 2005.
What is the IUPAC name of 2-Acetamino-4-Nitrobenzoic acid?
The IUPAC name of 2-Acetamino-4-Nitrobenzoic acid is 2-acetamido-4-nitrobenzoic acid.
What is the InChIKey of 2-Acetamino-4-Nitrobenzoic acid?
The InChIKey of 2-Acetamino-4-Nitrobenzoic acid is OAYHLMVCNPUEPI-UHFFFAOYSA-N.
What is the molecular weight of 2-Acetamino-4-Nitrobenzoic acid?
The molecular weight of 2-Acetamino-4-Nitrobenzoic acid is 224.17 g/mol.
What is the Canonical SMILES of 2-Acetamino-4-Nitrobenzoic acid?
The Canonical SMILES of 2-Acetamino-4-Nitrobenzoic acid is CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O.
How many hydrogen bond donor counts does 2-Acetamino-4-Nitrobenzoic acid have?
2-Acetamino-4-Nitrobenzoic acid has 2 hydrogen bond donor counts.
What is the topological polar surface area of 2-Acetamino-4-Nitrobenzoic acid?
The topological polar surface area of 2-Acetamino-4-Nitrobenzoic acid is 112 Ų.
How many rotatable bond counts does 2-Acetamino-4-Nitrobenzoic acid have?
2-Acetamino-4-Nitrobenzoic acid has 2 rotatable bond counts.
Is 2-Acetamino-4-Nitrobenzoic acid a canonicalized compound?
Yes, 2-Acetamino-4-Nitrobenzoic acid is a canonicalized compound according to PubChem.
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