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82760-42-7 | ETHYL 4-AMINO-3-BROMO-5-NITROBENZOATE
CAS No: 82760-42-7 Catalog No: AG004TQY MDL No:MFCD00044014
Product Description
Catalog Number:
AG004TQY
Chemical Name:
ETHYL 4-AMINO-3-BROMO-5-NITROBENZOATE
CAS Number:
82760-42-7
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
MDL Number:
MFCD00044014
IUPAC Name:
ethyl 4-amino-3-bromo-5-nitrobenzoate
InChI:
InChI=1S/C9H9BrN2O4/c1-2-16-9(13)5-3-6(10)8(11)7(4-5)12(14)15/h3-4H,2,11H2,1H3
InChI Key:
QANVLXVFIRTXFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N
EC Number:
280-022-7
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.975g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.085g/mol
Monoisotopic Mass:
287.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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