5,7-dibromo-2-phenyl-1H-indole 5326-35-2 98%
Identification and Related Records
【Name】
5,7-dibromo-2-phenyl-1H-indole
【CAS Registry number】
5326-35-2
【Synonyms】
5,7-dibromo-2-phenyl-1h-indole
NSC290
AC1L56CM
AC1Q25XM
NSC-290
5,7-DIBROMO-2-PHENYLINDOLE
AR-1G6303
5,7-bis(bromanyl)-2-phenyl-1H-indole
A831521
【Molecular Formula】
C14H9Br2N (Products with the same molecular formula)
【Molecular Weight】
351.036
【Inchi】
InChI=1/C14H9Br2N/c15-11-6-10-7-13(9-4-2-1-3-5-9)17-14(10)12(16)8-11/h1-8,17H
【Canonical SMILES】
C1=CC=C(C=C1)C2=CC3=CC(=CC(=C3N2)Br)Br
【MOL File】
5326-35-2.mol
Chemical and Physical Properties
【Density】
1.759g/cm3
【Boiling Point】
484.5°C at 760 mmHg
【Refractive Index】
1.716
【Flash Point】
246.8°C
【Computed Properties】
Molecular Weight:351.03596 [g/mol]
Molecular Formula:C14H9Br2N
XLogP3-AA:5.1
H-Bond Donor:1
H-Bond Acceptor:0
Rotatable Bond Count:1
Exact Mass:350.908128
MonoIsotopic Mass:348.910174
Topological Polar Surface Area:15.8
Heavy Atom Count:17
Formal Charge:0
Complexity:265
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1
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