1H-Indazole-3-carboxylicacid, 1-(phenylmethyl)- supplier

Name
1-BENZYL INDAZOLYL-3-CARBOXYLIC ACID
EINECS
CAS No. 41354-03-4
Article Data3
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂N₂O₂
Boiling Point 491.536 °C at 760 mmHg
Molecular Weight 252.27
Flash Point 251.072 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzyl-1H-indazole-3-carboxylicacid;1-Benzyl-3-indazolecarboxylic acid;1-Phenylmethyl-1H-indazole-3-carboxylic acid;AF 1311TS;
PSA 55.12000
LogP 2.78280

1H-Indazole-3-carboxylicacid, 1-(phenylmethyl)- Specification

The CAS register number of 1H-Indazole-3-carboxylicacid, 1-(phenylmethyl)- is 41354-03-4. It also can be called as 1-Benzyl-3-indazolecarboxylic acid and the systematic name about this chemical is 1-benzyl-1H-indazole-3-carboxylic acid. The molecular formula about this chemical is C₁₅H₁₂N₂O₂ and the molecular weight is 252.27. It belongs to the Indoles and Derivatives.

Physical properties about 1H-Indazole-3-carboxylicacid, 1-(phenylmethyl)- are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 2; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 19; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.12 Å²; (11)Index of Refraction: 1.653; (12)Molar Refractivity: 72.741 cm³; (13)Molar Volume: 198.631 cm³; (14)Polarizability: 28.837x10^-24cm³; (15)Surface Tension: 52.365 dyne/cm; (16)Flash Point: 251.072 °C; (17)Enthalpy of Vaporization: 79.862 kJ/mol; (18)Boiling Point: 491.536 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2nn(c1ccccc12)Cc3ccccc3
(2)InChI: InChI=1/C15H12N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
(3)InChIKey: CDRCOZFGMPTGBL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C15H12N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
(5)Std. InChIKey: CDRCOZFGMPTGBL-UHFFFAOYSA-N

Product Name

1-BENZYL INDAZOLYL-3-CARBOXYLIC ACID

1H-Indazole-3-carboxylicacid, 1-(phenylmethyl)- Specification

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