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189950-31-0 | Benzene, 1,1',1''-[[(3-bromopropyl)thio]methylidyne]tris-
CAS No: 189950-31-0 Catalog No: AG002E6Q MDL No:
Product Description
Catalog Number:
AG002E6Q
Chemical Name:
Benzene, 1,1',1''-[[(3-bromopropyl)thio]methylidyne]tris-
CAS Number:
189950-31-0
Molecular Formula:
C22H21BrS
Molecular Weight:
397.3711
IUPAC Name:
[3-bromopropylsulfanyl(diphenyl)methyl]benzene
InChI:
InChI=1S/C22H21BrS/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChI Key:
DSPWAHDSHKYKMY-UHFFFAOYSA-N
SMILES:
BrCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.055g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.374g/mol
Monoisotopic Mass:
396.055g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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