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127451-90-5 | 4-Bromo-2,6-diethylaniline hydrobromide
CAS No: 127451-90-5 Catalog No: AG01FCAA MDL No:MFCD27951970
Product Description
Catalog Number:
AG01FCAA
Chemical Name:
4-Bromo-2,6-diethylaniline hydrobromide
CAS Number:
127451-90-5
Molecular Formula:
C10H15Br2N
Molecular Weight:
309.0408
MDL Number:
MFCD27951970
IUPAC Name:
4-bromo-2,6-diethylaniline;hydrobromide
InChI:
InChI=1S/C10H14BrN.BrH/c1-3-7-5-9(11)6-8(4-2)10(7)12;/h5-6H,3-4,12H2,1-2H3;1H
InChI Key:
DIVYFKRWVDSCBI-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)cc(c1N)CC.Br
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.045g/mol
Monoisotopic Mass:
306.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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