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23442-14-0 | Ethanone, 1-(4-aminophenyl)-2-bromo-
CAS No: 23442-14-0 Catalog No: AG002N9N MDL No:MFCD09744997
Product Description
Catalog Number:
AG002N9N
Chemical Name:
Ethanone, 1-(4-aminophenyl)-2-bromo-
CAS Number:
23442-14-0
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
MDL Number:
MFCD09744997
IUPAC Name:
1-(4-aminophenyl)-2-bromoethanone
InChI:
InChI=1S/C8H8BrNO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5,10H2
InChI Key:
KEDZCZPTPIYWLM-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)N
Properties
Complexity:
141
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:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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