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CAS No.: | 332099-36-2 |
---|---|
Name: | 3-BROMO-4(H)-THIENO[3,2-B]PYRROLE-5-CARBOXYLICACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H4BrNO2S |
Molecular Weight: | 246.084 |
Synonyms: | 3-BROMO-4(H)-THIENO[3,2-B]PYRROLE-5-CARBOXYLICACID;2-b]pyrrole-5-carboxylic acid;3-broMo-4H-thieno[3 |
Density: | 2.05 g/cm3 |
Boiling Point: | 487.436 °C at 760 mmHg |
Flash Point: | 248.593 °C |
PSA: | 81.33000 |
LogP: | 2.69010 |
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Molecular Structure of 3-Bromo-4H-thieno[3,2-beta]pyrrole-5-carboxylic acid (CAS NO.332099-36-2):
IUPAC Name: 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Molecular Formula: C7H4BrNO2S
Molecular Weight: 246.08
XLogP3-AA: 2.4
H-Bond Donor: 2
H-Bond Acceptor: 2
Index of Refraction: 1.804
Molar Refractivity: 51.533 cm3
Molar Volume: 120.065 cm3
Surface Tension: 86.815 dyne/cm
Density: 2.05 g/cm3
Flash Point: 248.593 °C
Enthalpy of Vaporization: 79.346 kJ/mol
Boiling Point: 487.436 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Product Categories: CHIRAL CHEMICALS
Canonical SMILES: C1=C(NC2=C1SC=C2Br)C(=O)O
InChI: InChI=1S/C7H4BrNO2S/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)
InChIKey: WQGQGYADKDKACG-UHFFFAOYSA-N
3-Bromo-4H-thieno[3,2-beta]pyrrole-5-carboxylic acid (CAS NO.332099-36-2), its Synonym is 4H-Thieno[3,2-beta]pyrrole-5-carboxylicacid, 3-bromo- .