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929000-30-6 | 3-Bromo-N-ethyl-5-nitrobenzamide
CAS No: 929000-30-6 Catalog No: AG003SZA MDL No:MFCD09258762
Product Description
Catalog Number:
AG003SZA
Chemical Name:
3-Bromo-N-ethyl-5-nitrobenzamide
CAS Number:
929000-30-6
Molecular Formula:
C9H9BrN2O3
Molecular Weight:
273.0834
MDL Number:
MFCD09258762
IUPAC Name:
3-bromo-N-ethyl-5-nitrobenzamide
InChI:
InChI=1S/C9H9BrN2O3/c1-2-11-9(13)6-3-7(10)5-8(4-6)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChI Key:
BHIIECOOMQPQDV-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cc(Br)cc(c1)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.086g/mol
Monoisotopic Mass:
271.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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