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87967-31-5 | Acetic acid, [(3,4-dibromophenyl)amino]oxo-, methyl ester
CAS No: 87967-31-5 Catalog No: AG004D3S MDL No:
Product Description
Catalog Number:
AG004D3S
Chemical Name:
Acetic acid, [(3,4-dibromophenyl)amino]oxo-, methyl ester
CAS Number:
87967-31-5
Molecular Formula:
C9H7Br2NO3
Molecular Weight:
336.9648
IUPAC Name:
methyl 2-(3,4-dibromoanilino)-2-oxoacetate
InChI:
InChI=1S/C9H7Br2NO3/c1-15-9(14)8(13)12-5-2-3-6(10)7(11)4-5/h2-4H,1H3,(H,12,13)
InChI Key:
SUCKJIYPRRUDHX-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)Nc1ccc(c(c1)Br)Br
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.877g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.967g/mol
Monoisotopic Mass:
334.879g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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