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1416438-25-9 | 1-Propanone, 1-(2-amino-4-bromophenyl)-3-chloro-
CAS No: 1416438-25-9 Catalog No: AG001GSR MDL No:MFCD22690541
Product Description
Catalog Number:
AG001GSR
Chemical Name:
1-Propanone, 1-(2-amino-4-bromophenyl)-3-chloro-
CAS Number:
1416438-25-9
Molecular Formula:
C9H9BrClNO
Molecular Weight:
262.5309
MDL Number:
MFCD22690541
IUPAC Name:
1-(2-amino-4-bromophenyl)-3-chloropropan-1-one
InChI:
InChI=1S/C9H9BrClNO/c10-6-1-2-7(8(12)5-6)9(13)3-4-11/h1-2,5H,3-4,12H2
InChI Key:
NIQRDMAODSKXQM-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1ccc(cc1N)Br
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.956g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.531g/mol
Monoisotopic Mass:
260.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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