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73414-58-1 | Phenol, 4-(2-aminoethyl)-2,6-dibromo-, hydrobromide
CAS No: 73414-58-1 Catalog No: AG005E42 MDL No:
Product Description
Catalog Number:
AG005E42
Chemical Name:
Phenol, 4-(2-aminoethyl)-2,6-dibromo-, hydrobromide
CAS Number:
73414-58-1
Molecular Formula:
C8H10Br3NO
Molecular Weight:
375.8831
IUPAC Name:
4-(2-aminoethyl)-2,6-dibromophenol;hydrobromide
InChI:
InChI=1S/C8H9Br2NO.BrH/c9-6-3-5(1-2-11)4-7(10)8(6)12;/h3-4,12H,1-2,11H2;1H
InChI Key:
AWEREFBSIVOXCE-UHFFFAOYSA-N
SMILES:
NCCc1cc(Br)c(c(c1)Br)O.Br
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.829g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
375.886g/mol
Monoisotopic Mass:
372.831g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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