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799280-04-9 | Propanamide, 3-bromo-N-(4-nitro-1-naphthalenyl)-
CAS No: 799280-04-9 Catalog No: AG005EXV MDL No:
Product Description
Catalog Number:
AG005EXV
Chemical Name:
Propanamide, 3-bromo-N-(4-nitro-1-naphthalenyl)-
CAS Number:
799280-04-9
Molecular Formula:
C13H11BrN2O3
Molecular Weight:
323.1420
IUPAC Name:
3-bromo-N-(4-nitronaphthalen-1-yl)propanamide
InChI:
InChI=1S/C13H11BrN2O3/c14-8-7-13(17)15-11-5-6-12(16(18)19)10-4-2-1-3-9(10)11/h1-6H,7-8H2,(H,15,17)
InChI Key:
XRVSBMCEFGZVNT-UHFFFAOYSA-N
SMILES:
BrCCC(=O)Nc1ccc(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.995g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.146g/mol
Monoisotopic Mass:
321.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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