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929000-34-0 | 3-Bromo-N,N-diethyl-5-nitrobenzamide
CAS No: 929000-34-0 Catalog No: AG003SJ1 MDL No:MFCD09258763
Product Description
Catalog Number:
AG003SJ1
Chemical Name:
3-Bromo-N,N-diethyl-5-nitrobenzamide
CAS Number:
929000-34-0
Molecular Formula:
C11H13BrN2O3
Molecular Weight:
301.1365
MDL Number:
MFCD09258763
IUPAC Name:
3-bromo-N,N-diethyl-5-nitrobenzamide
InChI:
InChI=1S/C11H13BrN2O3/c1-3-13(4-2)11(15)8-5-9(12)7-10(6-8)14(16)17/h5-7H,3-4H2,1-2H3
InChI Key:
BCJGPZGRXWUAAQ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc(Br)cc(c1)[N+](=O)[O-])CC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.14g/mol
Monoisotopic Mass:
300.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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