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CAS No.: | 93964-27-3 |
---|---|
Name: | sodium N-(4-chlorophenyl)-2-hydroxy-9H-carbazole-1-carboxamidate |
Molecular Structure: | |
Formula: | C19H13ClN2NaO2 |
Molecular Weight: | 359.76149 |
Synonyms: | 9H-Carbazole-1-carboxamide,N-(4-chlorophenyl)-2-hydroxy-, monosodium salt (9CI); |
EINECS: | 300-876-7 |
PSA: | 65.12000 |
LogP: | 5.11790 |
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The 9H-Carbazole-1-carboxamide,N-(4-chlorophenyl)-2-hydroxy-, sodium salt (1:1), with the CAS registry number 93964-27-3, is also known as Sodium N-(4-chlorophenyl)-2-hydroxy-9H-carbazole-1-carboxamidate. Its EINECS registry number is 300-876-7. This chemical's molecular formula is C19H13ClN2NaO2 and molecular weight is 359.76149. Its IUPAC name is called sodium 1-[(4-chlorophenyl)carbamoyl]-9H-carbazol-2-olate.
Physical properties of 9H-Carbazole-1-carboxamide,N-(4-chlorophenyl)-2-hydroxy-, sodium salt (1:1): (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 2; (4)Tautomer Count: 7; (5)Exact Mass: 358.0485; (6)MonoIsotopic Mass: 358.0485; (7)Topological Polar Surface Area: 68; (8)Heavy Atom Count: 25; (9)Formal Charge: 0; (10)Complexity: 472; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=C(C=C3)[O-])C(=O)NC4=CC=C(C=C4)Cl.[Na+]
(2)InChI: InChI=1S/C19H13ClN2O2.Na/c20-11-5-7-12(8-6-11)21-19(24)17-16(23)10-9-14-13-3-1-2-4-15(13)22-18(14)17;/h1-10,22-23H,(H,21,24);/q;+1/p-1
(3)InChIKey: YGBJNRMUDZTJKS-UHFFFAOYSA-M