CAS
98278-85-4 Purity
96%
98278-85-4 Purity
96%
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2,3-Diamino-5-nitrobenzoic acid
CAS
98279-87-9
Catalog Number
ACM98279879
Category
Other Products
Molecular Weight
197.148180 [g/mol]
Molecular Formula
C7H7N3O4
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Specification
Synonyms
Benzoic acid, 2,3-diamino-5-nitro-, 98279-87-9, ACMC-20m27z, SureCN9381233, CTK3F1560, 2,3-Diamino-5-nitrobenzoic acid, AK141213
IUPAC Name
2,3-diamino-5-nitrobenzoic acid
Canonical SMILES
C1=C(C=C(C(=C1N)N)C(=O)O)[N+](=O)[O-]
InChI Key
VYSNGNBMJHEJBV-UHFFFAOYSA-N
Boiling Point
521.3ºC at 760 mmHg
Melting Point
>245ºC
Flash Point
269ºC
Density
1.665 g/cm³
Exact Mass
197.04400
H-Bond Acceptor
6
H-Bond Donor
3
What is the molecular formula of 2,3-Diamino-5-nitrobenzoic acid?
The molecular formula is C7H7N3O4.
When was 2,3-Diamino-5-nitrobenzoic acid created and modified in PubChem?
It was created on December 5, 2007, and modified on December 30, 2023.
What is the molecular weight of 2,3-Diamino-5-nitrobenzoic acid?
The molecular weight is 197.15 g/mol.
What is the IUPAC name of 2,3-Diamino-5-nitrobenzoic acid?
The IUPAC name is 2,3-diamino-5-nitrobenzoic acid.
What is the InChI of 2,3-Diamino-5-nitrobenzoic acid?
The InChI is InChI=1S/C7H7N3O4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,8-9H2,(H,11,12).
How many hydrogen bond donor counts does 2,3-Diamino-5-nitrobenzoic acid have?
It has 3 hydrogen bond donor counts.
What is the topological polar surface area of 2,3-Diamino-5-nitrobenzoic acid?
The topological polar surface area is 135 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the XLogP3-AA value of 2,3-Diamino-5-nitrobenzoic acid?
The XLogP3-AA value is 0.5.
How many rotatable bond counts does 2,3-Diamino-5-nitrobenzoic acid have?
It has 1 rotatable bond count.
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