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3-bromo-N-ethyl-5-nitrobenzamide

3-bromo-N-ethyl-5-nitrobenzamide

CAS: 929000-30-6

Formula: C9H9BrN2O3

SMILES: CCNC(=O)C1=CC(Br)=CC(=C1)[N+]([O-])=O

IUPAC: 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)

Composition: C (39.58%), H (3.32%), Br (29.26%), N (10.26%), O (17.58%)

Molar Mass: 273.086

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 271.979655
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BHIIECOOMQPQDV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.73
Topological Polar Surface Area 72.24
Polarizability 21.74
Ring Count 1
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 929000-30-6 $246.10-$1,930.85$246.10$572.70$1,930.85
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