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78600-33-6 | 3-Bromo-N,N-diphenylaniline
CAS No: 78600-33-6 Catalog No: AG003J4P MDL No:MFCD06798123
Product Description
Catalog Number:
AG003J4P
Chemical Name:
3-Bromo-N,N-diphenylaniline
CAS Number:
78600-33-6
Molecular Formula:
C18H14BrN
Molecular Weight:
324.2145
MDL Number:
MFCD06798123
IUPAC Name:
3-bromo-N,N-diphenylaniline
InChI:
InChI=1S/C18H14BrN/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
InChI Key:
YDXLVFKTOSKBKT-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.221g/mol
Monoisotopic Mass:
323.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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