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93964-35-3 Purity
96%
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5-[(3-Carboxy-4-chlorophenyl)azo]salicylic acid
CAS
93964-55-7
Catalog Number
ACM93964557
Category
Other Products
Molecular Weight
320.684660 [g/mol]
Molecular Formula
C14H9ClN2O5
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Specification
Synonyms
EINECS 300-901-1, CID6366332, 5-((3-Carboxy-4-chlorophenyl)azo)salicylic acid, 93964-55-7
IUPAC Name
5-[(2E)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-chlorobenzoic acid
Canonical SMILES
C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O)Cl
InChI Key
RICRHKWXBGZVKG-CAOOACKPSA-N
Boiling Point
628.9±55.0 °C (760 mmHg)
Density
1.55±0.1 g/cm³ (20 °C, 760 mmHg)
EC Number
300-901-1
Exact Mass
320.02000
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of the compound?
Molecular Formula: C14H9ClN2O5
What is the molecular weight of the compound?
Molecular Weight: 320.68 g/mol
What is the IUPAC name of the compound?
IUPAC Name: 5-[(3-carboxy-4-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
What is the InChI code for the compound?
InChI: InChI=1S/C14H9ClN2O5/c15-11-3-1-7(5-9(11)13(19)20)16-17-8-2-4-12(18)10(6-8)14(21)22/h1-6,18H,(H,19,20)(H,21,22)
What is the InChIKey of the compound?
InChIKey: DGIVHDSCMQYEDB-UHFFFAOYSA-N
What is the Canonical SMILES of the compound?
Canonical SMILES: C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)Cl)C(=O)O)C(=O)O)O
What is the CAS number of the compound?
CAS Number: 93964-55-7
How many hydrogen bond donor counts does the compound have?
Hydrogen Bond Donor Count: 3
How many hydrogen bond acceptor counts does the compound have?
Hydrogen Bond Acceptor Count: 7
Is the compound canonicalized?
Compound Is Canonicalized: Yes
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