Molecular structure of (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid (CAS NO.1047651-74-0) is:
Product Name: (3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid
CAS Registry Number: 1047651-74-0
Molecular Formula: C11H12BrNO2
Molecular Weight: 270.12
Index of Refraction: 1.592
Molar Refractivity: 60.03 cm3
Molar Volume: 177.3 cm3
Surface Tension: 50.1 dyne/cm
Density: 1.522 g/cm3
Flash Point: 204.8 °C
Enthalpy of Vaporization: 70.43 kJ/mol
Boiling Point: 414.9 °C at 760 mmHg
Vapour Pressure: 1.25E-07 mmHg at 25 °C
SMILES: O=C(O)[C@H]2[C@H](c1cc(Br)ccc1)CNC2
InChI: InChI=1/C11H12BrNO2/c12-8-3-1-2-7(4-8)9-5-13-6-10(9)11(14)15/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10+/m0/s1
InChIKey: IETUAIGPGMFFRV-VHSXEESVBE
Std. InChI: InChI=1S/C11H12BrNO2/c12-8-3-1-2-7(4-8)9-5-13-6-10(9)11(14)15/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10+/m0/s1
Std. InChIKey: IETUAIGPGMFFRV-VHSXEESVSA-N
(3S,4R)-4-(3-Bromophenyl)pyrrolidine-3-carboxylic acid , its cas register number is 1047651-74-0. It also can be called 3-Pyrrolidinecarboxylicacid, 4-(3-bromophenyl)-, (3S,4R)- .
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