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690260-94-7 | Ethyl 3-bromo-5-nitrobenzoate
CAS No: 690260-94-7 Catalog No: AG005Z68 MDL No:MFCD09258760
Product Description
Catalog Number:
AG005Z68
Chemical Name:
Ethyl 3-bromo-5-nitrobenzoate
CAS Number:
690260-94-7
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD09258760
IUPAC Name:
ethyl 3-bromo-5-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3
InChI Key:
PUBVWGDKFHIPRR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)cc(c1)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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