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29124-56-9 | Ethanone, 1-(2-amino-5-bromophenyl)-
CAS No: 29124-56-9 Catalog No: AG002XES MDL No:MFCD09834638
Product Description
Catalog Number:
AG002XES
Chemical Name:
Ethanone, 1-(2-amino-5-bromophenyl)-
CAS Number:
29124-56-9
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
MDL Number:
MFCD09834638
IUPAC Name:
1-(2-amino-5-bromophenyl)ethanone
InChI:
InChI=1S/C8H8BrNO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,10H2,1H3
InChI Key:
JCGVHKOIDFMQER-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)C)N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.062g/mol
Monoisotopic Mass:
212.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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