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79354-51-1 | Acetic acid, [(4-bromophenyl)amino]oxo-
CAS No: 79354-51-1 Catalog No: AG005KAE MDL No:
Product Description
Catalog Number:
AG005KAE
Chemical Name:
Acetic acid, [(4-bromophenyl)amino]oxo-
CAS Number:
79354-51-1
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
IUPAC Name:
2-(4-bromoanilino)-2-oxoacetic acid
InChI:
InChI=1S/C8H6BrNO3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,(H,10,11)(H,12,13)
InChI Key:
YTUYOSLRUWBVLL-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)Nc1ccc(cc1)Br
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.044g/mol
Monoisotopic Mass:
242.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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